4-(3-methyl-4-methylidene-5-oxidanylidene-pyrazol-1-yl)benzoic acid

Systemtic Name: 4-(3-methyl-4-methylidene-5-oxidanylidene-pyrazol-1-yl)benzoic acid Openeye Name: 4-(3-methyl-4-methylene-5-oxo-pyrazol-1-yl)benzoic acid CAS Name: 4-(3-methyl-4-methylene-5-oxo-1-pyrazolyl)benzoic acid IUPAC Name: 4-(3-methyl-4-methylidene-5-oxopyrazol-1-yl)benzoic acid Traditional Name: 4-(5-keto-3-methyl-4-methylene-2-pyrazolin-1-yl)benzoic acid Formula: C12H10N2O3 MolecularWeight: 230.2194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1=C)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H10N2O3/c1-7-8(2)13-14(11(7)15)10-5-3-9(4-6-10)12(16)17/h3-6H,1H2,2H3,(H,16,17)