[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C24H17BrN4O6 MolecularWeight: 537.31898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C24H17BrN4O6/c25-19-14-18(29(33)34)10-11-20(19)28-23(31)22(15-4-2-1-3-5-15)35-24(32)16-6-8-17(9-7-16)27-21(30)12-13-26/h1-11,14,22H,12H2,(H,27,30)(H,28,31)