5-bromanyl-2-(3-methyl-5-oxidanylidene-1H-pyrazol-2-yl)benzoic acid

Systemtic Name: 5-bromanyl-2-(3-methyl-5-oxidanylidene-1H-pyrazol-2-yl)benzoic acid Openeye Name: 5-bromo-2-(3-methyl-5-oxo-1H-pyrazol-2-yl)benzoic acid CAS Name: 5-bromo-2-(3-methyl-5-oxo-1H-pyrazol-2-yl)benzoic acid IUPAC Name: 5-bromo-2-(3-methyl-5-oxo-1H-pyrazol-2-yl)benzoic acid Traditional Name: 5-bromo-2-(3-keto-5-methyl-3-pyrazolin-1-yl)benzoic acid Formula: C11H9BrN2O3 MolecularWeight: 297.10476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NN1C2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1=CC(=O)NN1C2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C11H9BrN2O3/c1-6-4-10(15)13-14(6)9-3-2-7(12)5-8(9)11(16)17/h2-5H,1H3,(H,13,15)(H,16,17)