(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4,5-trimethoxyphenyl)-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-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4,5-trimethoxyphenyl)cinchoninic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C27H22N4O6 MolecularWeight: 498.48678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C27H22N4O6/c1-34-23-12-16(13-24(35-2)25(23)36-3)22-14-19(17-8-4-6-10-20(17)28-22)27(33)37-15-31-26(32)18-9-5-7-11-21(18)29-30-31/h4-14H,15H2,1-3H3