[1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetylanilino)-1-oxopropan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(4-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H22ClN3O4 MolecularWeight: 439.89148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C(=O)C)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C(=O)C)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C23H22ClN3O4/c1-14-20(21(24)27(26-14)13-17-7-5-4-6-8-17)23(30)31-16(3)22(29)25-19-11-9-18(10-12-19)15(2)28/h4-12,16H,13H2,1-3H3,(H,25,29)