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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-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-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H16ClN5O3 MolecularWeight: 409.82574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C20H16ClN5O3/c1-13-17(18(21)25(23-13)11-14-7-3-2-4-8-14)20(28)29-12-26-19(27)15-9-5-6-10-16(15)22-24-26/h2-10H,11-12H2,1H3