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

Systemtic Name: [2-bromanyl-4-[2-cyano-3-[(2-methoxycarbonylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] naphthalene-1-carboxylate Openeye Name: [2-bromo-4-[2-cyano-3-(2-methoxycarbonylanilino)-3-oxo-prop-1-enyl]phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [2-bromo-4-[2-cyano-3-(2-methoxycarbonylanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-bromo-4-[2-cyano-3-(2-methoxycarbonylanilino)-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [2-bromo-4-[3-(2-carbomethoxyanilino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C29H19BrN2O5 MolecularWeight: 555.37556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC4=CC=CC=C43)Br)C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC4=CC=CC=C43)Br)C#N

InChI

InChI=1S/C29H19BrN2O5/c1-36-28(34)23-10-4-5-12-25(23)32-27(33)20(17-31)15-18-13-14-26(24(30)16-18)37-29(35)22-11-6-8-19-7-2-3-9-21(19)22/h2-16H,1H3,(H,32,33)