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

Systemtic Name: [4-bromanyl-2-[(E)-2-cyano-3-[(2-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] naphthalene-1-carboxylate Openeye Name: [4-bromo-2-[(E)-2-cyano-3-(2-nitroanilino)-3-oxo-prop-1-enyl]phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [4-bromo-2-[(E)-2-cyano-3-(2-nitroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-2-cyano-3-(2-nitroanilino)-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [4-bromo-2-[(E)-2-cyano-3-keto-3-(2-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)Br)C=C(C#N)C(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

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

InChI

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