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

Systemtic Name: [2-bromanyl-4-[(E)-3-[(2-chloranyl-4-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] naphthalene-1-carboxylate Openeye Name: [2-bromo-4-[(E)-3-(2-chloro-4-nitro-anilino)-2-cyano-3-oxo-prop-1-enyl]phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [2-bromo-4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-bromo-4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [2-bromo-4-[(E)-3-(2-chloro-4-nitro-anilino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C27H15BrClN3O5 MolecularWeight: 576.7821

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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=C(C=C(C=C4)[N+](=O)[O-])Cl)Br

Isomeric SMILES

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

InChI

InChI=1S/C27H15BrClN3O5/c28-22-13-16(12-18(15-30)26(33)31-24-10-9-19(32(35)36)14-23(24)29)8-11-25(22)37-27(34)21-7-3-5-17-4-1-2-6-20(17)21/h1-14H,(H,31,33)/b18-12+