[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] cyclohex-3-ene-1-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] cyclohex-3-ene-1-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] cyclohex-3-ene-1-carboxylate CAS Name: 1-cyclohex-3-enecarboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] cyclohex-3-ene-1-carboxylate Traditional Name: cyclohex-3-ene-1-carboxylic acid [2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1CC(CC=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C21H19BrN2O5/c22-17-13-16(24(27)28)11-12-18(17)23-20(25)19(14-7-3-1-4-8-14)29-21(26)15-9-5-2-6-10-15/h1-5,7-8,11-13,15,19H,6,9-10H2,(H,23,25)