(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 5-chloro-3-methyl-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-(4-methylbenzyl)pyrazole-4-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H18ClN5O3 MolecularWeight: 423.85232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)Cl

InChI

InChI=1S/C21H18ClN5O3/c1-13-7-9-15(10-8-13)11-26-19(22)18(14(2)24-26)21(29)30-12-27-20(28)16-5-3-4-6-17(16)23-25-27/h3-10H,11-12H2,1-2H3