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

Systemtic Name: [3-[(E)-2-cyano-3-[(2-methoxy-4-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] naphthalene-1-carboxylate Openeye Name: [3-[(E)-2-cyano-3-(2-methoxy-4-nitro-anilino)-3-oxo-prop-1-enyl]phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [3-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [3-[(E)-2-cyano-3-keto-3-(2-methoxy-4-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=CC(=C1)[N+](=O)[O-])NC(=O)C(=CC2=CC(=CC=C2)OC(=O)C3=CC=CC4=CC=CC=C43)C#N

Isomeric SMILES

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

InChI

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