(4-nitrophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: (4-nitrophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: (4-nitrophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid (4-nitrophenyl) ester Formula: C22H13BrN2O4 MolecularWeight: 449.25362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H13BrN2O4/c23-15-7-5-14(6-8-15)21-13-19(18-3-1-2-4-20(18)24-21)22(26)29-17-11-9-16(10-12-17)25(27)28/h1-13H