4-(4-methanoyl-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzoic acid

Systemtic Name: 4-(4-methanoyl-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzoic acid Openeye Name: 4-(4-formyl-5-methyl-3-oxo-1H-pyrazol-2-yl)benzoic acid CAS Name: 4-(4-formyl-5-methyl-3-oxo-1H-pyrazol-2-yl)benzoic acid IUPAC Name: 4-(4-formyl-5-methyl-3-oxo-1H-pyrazol-2-yl)benzoic acid Traditional Name: 4-(4-formyl-5-keto-3-methyl-3-pyrazolin-1-yl)benzoic acid Formula: C12H10N2O4 MolecularWeight: 246.2188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)O)C=O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)O)C=O

InChI

InChI=1S/C12H10N2O4/c1-7-10(6-15)11(16)14(13-7)9-4-2-8(3-5-9)12(17)18/h2-6,13H,1H3,(H,17,18)