[2-(4-chlorophenyl)carbonyl-4,4,5-trimethyl-3-oxidanyl-pyrazol-3-yl]methyl ethanoate

Systemtic Name: [2-(4-chlorophenyl)carbonyl-4,4,5-trimethyl-3-oxidanyl-pyrazol-3-yl]methyl ethanoate Openeye Name: [2-(4-chlorobenzoyl)-3-hydroxy-4,4,5-trimethyl-pyrazol-3-yl]methyl acetate CAS Name: acetic acid [2-[(4-chlorophenyl)-oxomethyl]-3-hydroxy-4,4,5-trimethyl-3-pyrazolyl]methyl ester IUPAC Name: [2-(4-chlorobenzoyl)-3-hydroxy-4,4,5-trimethylpyrazol-3-yl]methyl acetate Traditional Name: acetic acid [2-(4-chlorobenzoyl)-3-hydroxy-4,4,5-trimethyl-2-pyrazolin-3-yl]methyl ester Formula: C16H19ClN2O4 MolecularWeight: 338.78606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1(C)C)(COC(=O)C)O)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=NN(C(C1(C)C)(COC(=O)C)O)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H19ClN2O4/c1-10-15(3,4)16(22,9-23-11(2)20)19(18-10)14(21)12-5-7-13(17)8-6-12/h5-8,22H,9H2,1-4H3