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

Systemtic Name: [4-[(E)-2-cyano-3-[(2-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] naphthalene-1-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(2-nitroanilino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [4-[(E)-2-cyano-3-(2-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [4-[(E)-2-cyano-3-keto-3-(2-nitroanilino)prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C29H21N3O6 MolecularWeight: 507.49354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H21N3O6/c1-2-37-27-17-19(16-21(18-30)28(33)31-24-12-5-6-13-25(24)32(35)36)14-15-26(27)38-29(34)23-11-7-9-20-8-3-4-10-22(20)23/h3-17H,2H2,1H3,(H,31,33)/b21-16+