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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-1-phenyl-4-pyrazolecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C24H16FN5O3 MolecularWeight: 441.413943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H16FN5O3/c25-17-12-10-16(11-13-17)22-20(14-29(27-22)18-6-2-1-3-7-18)24(32)33-15-30-23(31)19-8-4-5-9-21(19)26-28-30/h1-14H,15H2