[2-[(2-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(2-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(2-carbamoylanilino)-2-oxo-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [2-(2-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-carbamoylanilino)-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [2-(2-carbamoylanilino)-2-keto-ethyl] ester Formula: C25H18BrN3O4 MolecularWeight: 504.33212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OCC(=O)NC4=CC=CC=C4C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OCC(=O)NC4=CC=CC=C4C(=O)N

InChI

InChI=1S/C25H18BrN3O4/c26-16-11-9-15(10-12-16)22-13-19(17-5-1-3-7-20(17)28-22)25(32)33-14-23(30)29-21-8-4-2-6-18(21)24(27)31/h1-13H,14H2,(H2,27,31)(H,29,30)