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

Systemtic Name: ethyl 1-(3-bromophenyl)carbonyl-5-methyl-5-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: ethyl 1-(3-bromobenzoyl)-5-hydroxy-5-methyl-4H-pyrazole-3-carboxylate CAS Name: 1-[(3-bromophenyl)-oxomethyl]-5-hydroxy-5-methyl-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromobenzoyl)-5-hydroxy-5-methyl-4H-pyrazole-3-carboxylate Traditional Name: 1-(3-bromobenzoyl)-5-hydroxy-5-methyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C14H15BrN2O4 MolecularWeight: 355.1839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN2O4/c1-3-21-13(19)11-8-14(2,20)17(16-11)12(18)9-5-4-6-10(15)7-9/h4-7,20H,3,8H2,1-2H3