[2-(benzotriazol-2-yl)-4-methyl-phenyl] 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C29H19BrN4O2 MolecularWeight: 535.39076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)N5N=C6C=CC=CC6=N5

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)N5N=C6C=CC=CC6=N5

InChI

InChI=1S/C29H19BrN4O2/c1-18-10-15-28(27(16-18)34-32-24-8-4-5-9-25(24)33-34)36-29(35)22-17-26(19-11-13-20(30)14-12-19)31-23-7-3-2-6-21(22)23/h2-17H,1H3