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

Systemtic Name: ethyl 3-(4-bromophenyl)-5-methyl-3-oxidanyl-1H-pyrazole-2-carboxylate Openeye Name: ethyl 3-(4-bromophenyl)-3-hydroxy-5-methyl-1H-pyrazole-2-carboxylate CAS Name: 3-(4-bromophenyl)-3-hydroxy-5-methyl-1H-pyrazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromophenyl)-3-hydroxy-5-methyl-1H-pyrazole-2-carboxylate Traditional Name: 5-(4-bromophenyl)-5-hydroxy-3-methyl-3-pyrazoline-1-carboxylic acid ethyl ester Formula: C13H15BrN2O3 MolecularWeight: 327.1738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(C=C(N1)C)(C2=CC=C(C=C2)Br)O

Isomeric SMILES

CCOC(=O)N1C(C=C(N1)C)(C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C13H15BrN2O3/c1-3-19-12(17)16-13(18,8-9(2)15-16)10-4-6-11(14)7-5-10/h4-8,15,18H,3H2,1-2H3