[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C25H18BrN3O5 MolecularWeight: 520.33152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H18BrN3O5/c1-15(24(30)27-18-5-4-6-19(13-18)29(32)33)34-25(31)21-14-23(16-9-11-17(26)12-10-16)28-22-8-3-2-7-20(21)22/h2-15H,1H3,(H,27,30)