[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(4-acetamidophenyl)-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C22H20ClN3O4 MolecularWeight: 425.8649

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O4/c1-14-20(21(23)26(25-14)12-16-6-4-3-5-7-16)22(29)30-13-19(28)17-8-10-18(11-9-17)24-15(2)27/h3-11H,12-13H2,1-2H3,(H,24,27)