(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C16H11N7O3 MolecularWeight: 349.30364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=C(N=CC=C3)N4C=NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=C(N=CC=C3)N4C=NC=N4

InChI

InChI=1S/C16H11N7O3/c24-15-11-4-1-2-6-13(11)20-21-23(15)10-26-16(25)12-5-3-7-18-14(12)22-9-17-8-19-22/h1-9H,10H2