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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-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-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C25H18N4O4 MolecularWeight: 438.43482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18N4O4/c1-32-17-12-10-16(11-13-17)23-14-20(18-6-2-4-8-21(18)26-23)25(31)33-15-29-24(30)19-7-3-5-9-22(19)27-28-29/h2-14H,15H2,1H3