CAS No.: 57966-95-7 — Cymoxanil (-)

1. Primary Information

English name:	Cymoxanil
CAS No.:	57966-95-7
Molecular formula:	C₇H₁₀N₄O₃
Molecular weight:	198.18 g/mol
SMILES:	CCNC(=O)NC(=O)C(=NOC)C#N
Structural class:
Other identifiers:	2-cyano-N-((ethylamino)carbonyl)-2-(methoxyimino)acetamide Curzate Cymoxanil DPX 3217 DPX 3217 copper sulfate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	1032	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	64	-20℃，避光	in stock	-
Kehua Intelligence	25g	98%	121	2-8℃	in stock	-
Kehua Intelligence	100g	98%	371	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 24 23 0 0 0 0 0 0 0999 V2000 2.6274 -1.0978 -0.3132 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0948 -1.9414 -0.5552 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3544 1.1303 -0.0301 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8005 1.1253 0.3353 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7168 0.1817 0.0629 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9802 0.9648 -0.2541 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6356 -1.7538 0.6431 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2431 1.1907 0.3523 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8632 -0.1356 -0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 -0.0312 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2388 -0.7783 -0.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6283 -0.2626 -0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7405 -1.0850 0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6786 2.4927 -0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5463 1.9815 -0.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5489 1.4847 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2787 1.9609 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6449 -0.9375 0.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6423 -0.4282 -1.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9543 -0.0177 -0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4022 1.1091 0.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7493 2.6283 -0.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4528 2.7670 -1.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1261 3.1379 0.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 11 2 0 0 0 0 3 6 1 0 0 0 0 3 14 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 17 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 21 1 0 0 0 0 6 12 2 0 0 0 0 7 13 3 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide

4.2 InChI

InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+

4.3 InChIKey

XERJKGMBORTKEO-VZUCSPMQSA-N

4.4 Canonical SMILES

CCNC(=O)NC(=O)C(=NOC)C#N

4.5 Isomeric SMILES

CCNC(=O)NC(=O)/C(=N/OC)/C#N

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)