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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-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-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C25H18N4O3 MolecularWeight: 422.43542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C25H18N4O3/c1-16-10-12-17(13-11-16)23-14-20(18-6-2-4-8-21(18)26-23)25(31)32-15-29-24(30)19-7-3-5-9-22(19)27-28-29/h2-14H,15H2,1H3