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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrClN2O4/c1-26-17(24)15-10-18(25,12-5-7-14(20)8-6-12)22(21-15)16(23)11-3-2-4-13(19)9-11/h2-9,25H,10H2,1H3