(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H13N5O3 MolecularWeight: 347.32752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H13N5O3/c24-17-13-8-4-5-9-14(13)21-22-23(17)11-26-18(25)16-10-15(19-20-16)12-6-2-1-3-7-12/h1-10H,11H2,(H,19,20)