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

Systemtic Name: [4-[3-[(2-bromanyl-4-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] naphthalene-1-carboxylate Openeye Name: [4-[3-(2-bromo-4-nitro-anilino)-2-cyano-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [4-[3-(2-bromo-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[3-(2-bromo-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [4-[3-(2-bromo-4-nitro-anilino)-2-cyano-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C29H20BrN3O6 MolecularWeight: 586.3896

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H20BrN3O6/c1-2-38-27-15-18(14-20(17-31)28(34)32-25-12-11-21(33(36)37)16-24(25)30)10-13-26(27)39-29(35)23-9-5-7-19-6-3-4-8-22(19)23/h3-16H,2H2,1H3,(H,32,34)