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

Systemtic Name: [2-bromanyl-4-[(E)-2-cyano-3-[(4-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] naphthalene-1-carboxylate Openeye Name: [2-bromo-4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxo-prop-1-enyl]phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [2-bromo-4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-bromo-4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [2-bromo-4-[(E)-2-cyano-3-keto-3-(4-nitroanilino)prop-1-enyl]phenyl] ester Formula: C27H16BrN3O5 MolecularWeight: 542.33704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=C(C=C(C=C3)C=C(C#N)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=C(C=C(C=C3)/C=C(\C#N)/C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C27H16BrN3O5/c28-24-15-17(14-19(16-29)26(32)30-20-9-11-21(12-10-20)31(34)35)8-13-25(24)36-27(33)23-7-3-5-18-4-1-2-6-22(18)23/h1-15H,(H,30,32)/b19-14+