methyl 2-(4-bromophenyl)-5-ethanoyl-1,3-dihydropyrazole-4-carboxylate

Systemtic Name: methyl 2-(4-bromophenyl)-5-ethanoyl-1,3-dihydropyrazole-4-carboxylate Openeye Name: methyl 5-acetyl-2-(4-bromophenyl)-1,3-dihydropyrazole-4-carboxylate CAS Name: 5-acetyl-2-(4-bromophenyl)-1,3-dihydropyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-acetyl-2-(4-bromophenyl)-1,3-dihydropyrazole-4-carboxylate Traditional Name: 3-acetyl-1-(4-bromophenyl)-3-pyrazoline-4-carboxylic acid methyl ester Formula: C13H13BrN2O3 MolecularWeight: 325.15792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(CN(N1)C2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC(=O)C1=C(CN(N1)C2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C13H13BrN2O3/c1-8(17)12-11(13(18)19-2)7-16(15-12)10-5-3-9(14)4-6-10/h3-6,15H,7H2,1-2H3