[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C17H13N3O6 MolecularWeight: 355.30162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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