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

Systemtic Name: [5-[(E)-2-cyano-3-[(4-nitro-2-oxidanyl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] naphthalene-1-carboxylate Openeye Name: [5-[(E)-2-cyano-3-(2-hydroxy-4-nitro-anilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [5-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [5-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [5-[(E)-2-cyano-3-(2-hydroxy-4-nitro-anilino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C28H19N3O7 MolecularWeight: 509.46636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)OC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)OC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H19N3O7/c1-37-25-12-9-17(13-19(16-29)27(33)30-23-11-10-20(31(35)36)15-24(23)32)14-26(25)38-28(34)22-8-4-6-18-5-2-3-7-21(18)22/h2-15,32H,1H3,(H,30,33)/b19-13+