(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C24H15BrN4O3 MolecularWeight: 487.3049

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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)OCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C24H15BrN4O3/c25-16-11-9-15(10-12-16)22-13-19(17-5-1-3-7-20(17)26-22)24(31)32-14-29-23(30)18-6-2-4-8-21(18)27-28-29/h1-13H,14H2