(2-benzamido-2-oxidanylidene-ethyl) 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (2-benzamido-2-keto-ethyl) ester Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC(=O)C2=CC=CC=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC(=O)C2=CC=CC=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H18ClN3O4/c1-14-18(19(22)25(24-14)12-15-8-4-2-5-9-15)21(28)29-13-17(26)23-20(27)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,23,26,27)