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

Systemtic Name: ethyl 5-(4-bromophenyl)-1-(3-chlorophenyl)carbonyl-5-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-bromophenyl)-1-(3-chlorobenzoyl)-5-hydroxy-4H-pyrazole-3-carboxylate CAS Name: 5-(4-bromophenyl)-1-[(3-chlorophenyl)-oxomethyl]-5-hydroxy-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-bromophenyl)-1-(3-chlorobenzoyl)-5-hydroxy-4H-pyrazole-3-carboxylate Traditional Name: 5-(4-bromophenyl)-1-(3-chlorobenzoyl)-5-hydroxy-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C19H16BrClN2O4 MolecularWeight: 451.69834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H16BrClN2O4/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/h3-10,26H,2,11H2,1H3