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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-(3-pyridinyl)-4-pyrazolecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C23H16N6O3 MolecularWeight: 424.41154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H16N6O3/c30-22-18-10-4-5-11-20(18)25-27-29(22)15-32-23(31)19-14-28(17-8-2-1-3-9-17)26-21(19)16-7-6-12-24-13-16/h1-14H,15H2