[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-methoxybenzoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-methoxybenzoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C17H13N3O6 MolecularWeight: 355.30162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O6/c1-25-14-4-2-3-11(8-14)17(22)26-10-16(21)19-15-6-5-13(20(23)24)7-12(15)9-18/h2-8H,10H2,1H3,(H,19,21)