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

Systemtic Name: (3-nitrophenyl)methyl 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: (3-nitrophenyl)methyl 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid (3-nitrobenzyl) ester Formula: C23H15BrN2O4 MolecularWeight: 463.2802

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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)OCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H15BrN2O4/c24-17-10-8-16(9-11-17)22-13-20(19-6-1-2-7-21(19)25-22)23(27)30-14-15-4-3-5-18(12-15)26(28)29/h1-13H,14H2