2-[1-(3-bromophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[1-(3-bromophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[1-(3-bromophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]acetic acid CAS Name: 2-[1-(3-bromophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]acetic acid IUPAC Name: 2-[1-(3-bromophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]acetic acid Traditional Name: 2-[1-(3-bromophenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]acetic acid Formula: C12H11BrN2O3 MolecularWeight: 311.13134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CC(=O)O)C2=CC(=CC=C2)Br

Isomeric SMILES

CC1=NN(C(=O)C1CC(=O)O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C12H11BrN2O3/c1-7-10(6-11(16)17)12(18)15(14-7)9-4-2-3-8(13)5-9/h2-5,10H,6H2,1H3,(H,16,17)