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

Systemtic Name: [2-bromanyl-4-[(E)-3-[(2-bromanyl-4-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-6-methoxy-phenyl] naphthalene-1-carboxylate Openeye Name: [2-bromo-4-[(E)-3-(2-bromo-4-nitro-anilino)-2-cyano-3-oxo-prop-1-enyl]-6-methoxy-phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [2-bromo-4-[(E)-3-(2-bromo-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-6-methoxyphenyl] ester IUPAC Name: [2-bromo-4-[(E)-3-(2-bromo-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-6-methoxyphenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [2-bromo-4-[(E)-3-(2-bromo-4-nitro-anilino)-2-cyano-3-keto-prop-1-enyl]-6-methoxy-phenyl] ester Formula: C28H17Br2N3O6 MolecularWeight: 651.25908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H17Br2N3O6/c1-38-25-13-16(11-18(15-31)27(34)32-24-10-9-19(33(36)37)14-22(24)29)12-23(30)26(25)39-28(35)21-8-4-6-17-5-2-3-7-20(17)21/h2-14H,1H3,(H,32,34)/b18-11+