ethyl 3-(4-chlorophenyl)-2-(3-chlorophenyl)carbonyl-3-oxidanyl-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 3-(4-chlorophenyl)-2-(3-chlorophenyl)carbonyl-3-oxidanyl-1H-pyrazole-5-carboxylate Openeye Name: ethyl 2-(3-chlorobenzoyl)-3-(4-chlorophenyl)-3-hydroxy-1H-pyrazole-5-carboxylate CAS Name: 3-(4-chlorophenyl)-2-[(3-chlorophenyl)-oxomethyl]-3-hydroxy-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-chlorobenzoyl)-3-(4-chlorophenyl)-3-hydroxy-1H-pyrazole-5-carboxylate Traditional Name: 1-(3-chlorobenzoyl)-5-(4-chlorophenyl)-5-hydroxy-3-pyrazoline-3-carboxylic acid ethyl ester Formula: C19H16Cl2N2O4 MolecularWeight: 407.24734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(N(N1)C(=O)C2=CC(=CC=C2)Cl)(C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CCOC(=O)C1=CC(N(N1)C(=O)C2=CC(=CC=C2)Cl)(C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C19H16Cl2N2O4/c1-2-27-18(25)16-11-19(26,13-6-8-14(20)9-7-13)23(22-16)17(24)12-4-3-5-15(21)10-12/h3-11,22,26H,2H2,1H3