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

Systemtic Name: [2-bromanyl-4-[(E)-2-cyano-3-[(2-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-ethoxy-phenyl] naphthalene-1-carboxylate Openeye Name: [2-bromo-4-[(E)-2-cyano-3-(2-nitroanilino)-3-oxo-prop-1-enyl]-6-ethoxy-phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [2-bromo-4-[(E)-2-cyano-3-(2-nitroanilino)-3-oxoprop-1-enyl]-6-ethoxyphenyl] ester IUPAC Name: [2-bromo-4-[(E)-2-cyano-3-(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-(2-nitroanilino)prop-1-enyl]-6-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=CC=CC=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=CC=CC=C2[N+](=O)[O-])Br)OC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H20BrN3O6/c1-2-38-26-16-18(14-20(17-31)28(34)32-24-12-5-6-13-25(24)33(36)37)15-23(30)27(26)39-29(35)22-11-7-9-19-8-3-4-10-21(19)22/h3-16H,2H2,1H3,(H,32,34)/b20-14+