(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-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-benzyl-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H19N5O3/c1-14-19(15(2)25(23-14)12-16-8-4-3-5-9-16)21(28)29-13-26-20(27)17-10-6-7-11-18(17)22-24-26/h3-11H,12-13H2,1-2H3