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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-methoxyphenyl)-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-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C25H19N5O4 MolecularWeight: 453.44946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)C5=CC=CC=C5

InChI

InChI=1S/C25H19N5O4/c1-33-19-13-11-17(12-14-19)23-21(15-29(27-23)18-7-3-2-4-8-18)25(32)34-16-30-24(31)20-9-5-6-10-22(20)26-28-30/h2-15H,16H2,1H3