[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-phenylquinolin-4-yl)carbonylamino]benzoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-phenylquinolin-4-yl)carbonylamino]benzoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate CAS Name: 2-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]benzoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate Traditional Name: 2-[(2-phenylquinoline-4-carbonyl)amino]benzoic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C31H21BrN4O6 MolecularWeight: 625.42564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4C(=O)OCC(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4C(=O)OCC(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])Br

InChI

InChI=1S/C31H21BrN4O6/c32-24-16-20(36(40)41)14-15-27(24)34-29(37)18-42-31(39)22-11-5-7-13-26(22)35-30(38)23-17-28(19-8-2-1-3-9-19)33-25-12-6-4-10-21(23)25/h1-17H,18H2,(H,34,37)(H,35,38)