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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C26H20N4O5 MolecularWeight: 468.4608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4)OC

InChI

InChI=1S/C26H20N4O5/c1-33-23-12-11-16(13-24(23)34-2)22-14-19(17-7-3-5-9-20(17)27-22)26(32)35-15-30-25(31)18-8-4-6-10-21(18)28-29-30/h3-14H,15H2,1-2H3