[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C18H14ClN3O7 MolecularWeight: 419.77266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C18H14ClN3O7/c1-27-15-6-12(14(22(25)26)7-16(15)28-2)18(24)29-9-17(23)21-11-4-3-10(8-20)13(19)5-11/h3-7H,9H2,1-2H3,(H,21,23)