[4-[(E)-2-cyano-3-[(2-methoxy-5-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] naphthalene-1-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-[(2-methoxy-5-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] naphthalene-1-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(2-methoxy-5-nitro-anilino)-3-oxo-prop-1-enyl]phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [4-[(E)-2-cyano-3-(2-methoxy-5-nitroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methoxy-5-nitroanilino)-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [4-[(E)-2-cyano-3-keto-3-(2-methoxy-5-nitro-anilino)prop-1-enyl]phenyl] ester Formula: C28H19N3O6 MolecularWeight: 493.46696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=CC4=CC=CC=C43)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC4=CC=CC=C43)/C#N

InChI

InChI=1S/C28H19N3O6/c1-36-26-14-11-21(31(34)35)16-25(26)30-27(32)20(17-29)15-18-9-12-22(13-10-18)37-28(33)24-8-4-6-19-5-2-3-7-23(19)24/h2-16H,1H3,(H,30,32)/b20-15+