(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-pyridin-3-ylquinoline-4-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-pyridin-3-ylquinoline-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(3-pyridyl)quinoline-4-carboxylate CAS Name: 2-(3-pyridinyl)-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-pyridin-3-ylquinoline-4-carboxylate Traditional Name: 2-(3-pyridyl)cinchoninic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C23H15N5O3 MolecularWeight: 409.3969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H15N5O3/c29-22-17-8-2-4-10-20(17)26-27-28(22)14-31-23(30)18-12-21(15-6-5-11-24-13-15)25-19-9-3-1-7-16(18)19/h1-13H,14H2