[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C17H13ClN4O5 MolecularWeight: 388.76192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Cl)C

InChI

InChI=1S/C17H13ClN4O5/c1-9-5-10(2)20-16(18)15(9)17(24)27-8-14(23)21-13-4-3-12(22(25)26)6-11(13)7-19/h3-6H,8H2,1-2H3,(H,21,23)