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

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-methoxy-benzoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 5-chloro-2-methoxy-benzoate CAS Name: 5-chloro-2-methoxybenzoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate Traditional Name: 5-chloro-2-methoxy-benzoic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C17H12ClN3O6 MolecularWeight: 389.74668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClN3O6/c1-26-15-5-2-11(18)7-13(15)17(23)27-9-16(22)20-14-4-3-12(21(24)25)6-10(14)8-19/h2-7H,9H2,1H3,(H,20,22)