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

Systemtic Name: methyl (5R)-1-(3-bromophenyl)carbonyl-5-oxidanyl-5-phenyl-4H-pyrazole-3-carboxylate Openeye Name: methyl (5R)-1-(3-bromobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate CAS Name: (5R)-1-[(3-bromophenyl)-oxomethyl]-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl (5R)-1-(3-bromobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate Traditional Name: (5R)-1-(3-bromobenzoyl)-5-hydroxy-5-phenyl-2-pyrazoline-3-carboxylic acid methyl ester Formula: C18H15BrN2O4 MolecularWeight: 403.2267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN2O4/c1-25-17(23)15-11-18(24,13-7-3-2-4-8-13)21(20-15)16(22)12-6-5-9-14(19)10-12/h2-10,24H,11H2,1H3/t18-/m1/s1