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

Systemtic Name: methyl 5-(4-bromophenyl)-1-(4-bromophenyl)carbonyl-5-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: methyl 1-(4-bromobenzoyl)-5-(4-bromophenyl)-5-hydroxy-4H-pyrazole-3-carboxylate CAS Name: 5-(4-bromophenyl)-1-[(4-bromophenyl)-oxomethyl]-5-hydroxy-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(4-bromobenzoyl)-5-(4-bromophenyl)-5-hydroxy-4H-pyrazole-3-carboxylate Traditional Name: 1-(4-bromobenzoyl)-5-(4-bromophenyl)-5-hydroxy-2-pyrazoline-3-carboxylic acid methyl ester Formula: C18H14Br2N2O4 MolecularWeight: 482.12276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14Br2N2O4/c1-26-17(24)15-10-18(25,12-4-8-14(20)9-5-12)22(21-15)16(23)11-2-6-13(19)7-3-11/h2-9,25H,10H2,1H3