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

Systemtic Name: methyl 3-(4-bromophenyl)-2-(4-chlorophenyl)carbonyl-3-oxidanyl-1H-pyrazole-5-carboxylate Openeye Name: methyl 3-(4-bromophenyl)-2-(4-chlorobenzoyl)-3-hydroxy-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-2-[(4-chlorophenyl)-oxomethyl]-3-hydroxy-1H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-bromophenyl)-2-(4-chlorobenzoyl)-3-hydroxy-1H-pyrazole-5-carboxylate Traditional Name: 5-(4-bromophenyl)-1-(4-chlorobenzoyl)-5-hydroxy-3-pyrazoline-3-carboxylic acid methyl ester Formula: C18H14BrClN2O4 MolecularWeight: 437.67176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrClN2O4/c1-26-17(24)15-10-18(25,12-4-6-13(19)7-5-12)22(21-15)16(23)11-2-8-14(20)9-3-11/h2-10,21,25H,1H3