(4-nitrophenyl)methyl 6-bromanyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 6-bromanyl-2-phenyl-quinoline-4-carboxylate Openeye Name: (4-nitrophenyl)methyl 6-bromo-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-phenyl-4-quinolinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 6-bromo-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-2-phenyl-cinchoninic acid (4-nitrobenzyl) ester Formula: C23H15BrN2O4 MolecularWeight: 463.2802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

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