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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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