ethyl 2-(3-chlorophenyl)carbonyl-5-methyl-3-oxidanyl-1H-pyrazole-3-carboxylate

Systemtic Name: ethyl 2-(3-chlorophenyl)carbonyl-5-methyl-3-oxidanyl-1H-pyrazole-3-carboxylate Openeye Name: ethyl 2-(3-chlorobenzoyl)-3-hydroxy-5-methyl-1H-pyrazole-3-carboxylate CAS Name: 2-[(3-chlorophenyl)-oxomethyl]-3-hydroxy-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-chlorobenzoyl)-3-hydroxy-5-methyl-1H-pyrazole-3-carboxylate Traditional Name: 2-(3-chlorobenzoyl)-3-hydroxy-5-methyl-3-pyrazoline-3-carboxylic acid ethyl ester Formula: C14H15ClN2O4 MolecularWeight: 310.7329

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C=C(NN1C(=O)C2=CC(=CC=C2)Cl)C)O

Isomeric SMILES

CCOC(=O)C1(C=C(NN1C(=O)C2=CC(=CC=C2)Cl)C)O

InChI

InChI=1S/C14H15ClN2O4/c1-3-21-13(19)14(20)8-9(2)16-17(14)12(18)10-5-4-6-11(15)7-10/h4-8,16,20H,3H2,1-2H3