[2-bromanyl-4-[(E)-2-cyano-3-[(4-methoxy-2-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-ethoxy-phenyl] naphthalene-1-carboxylate

Systemtic Name: [2-bromanyl-4-[(E)-2-cyano-3-[(4-methoxy-2-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-ethoxy-phenyl] naphthalene-1-carboxylate Openeye Name: [2-bromo-4-[(E)-2-cyano-3-(4-methoxy-2-nitro-anilino)-3-oxo-prop-1-enyl]-6-ethoxy-phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [2-bromo-4-[(E)-2-cyano-3-(4-methoxy-2-nitroanilino)-3-oxoprop-1-enyl]-6-ethoxyphenyl] ester IUPAC Name: [2-bromo-4-[(E)-2-cyano-3-(4-methoxy-2-nitroanilino)-3-oxoprop-1-enyl]-6-ethoxyphenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [2-bromo-4-[(E)-2-cyano-3-keto-3-(4-methoxy-2-nitro-anilino)prop-1-enyl]-6-ethoxy-phenyl] ester Formula: C30H22BrN3O7 MolecularWeight: 616.41558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H22BrN3O7/c1-3-40-27-15-18(13-20(17-32)29(35)33-25-12-11-21(39-2)16-26(25)34(37)38)14-24(31)28(27)41-30(36)23-10-6-8-19-7-4-5-9-22(19)23/h4-16H,3H2,1-2H3,(H,33,35)/b20-13+