4-(3-methoxycarbonyl-5-oxidanylidene-4H-pyrazol-1-yl)benzoic acid

Systemtic Name: 4-(3-methoxycarbonyl-5-oxidanylidene-4H-pyrazol-1-yl)benzoic acid Openeye Name: 4-(3-methoxycarbonyl-5-oxo-4H-pyrazol-1-yl)benzoic acid CAS Name: 4-(3-methoxycarbonyl-5-oxo-4H-pyrazol-1-yl)benzoic acid IUPAC Name: 4-(3-methoxycarbonyl-5-oxo-4H-pyrazol-1-yl)benzoic acid Traditional Name: 4-(3-carbomethoxy-5-keto-2-pyrazolin-1-yl)benzoic acid Formula: C12H10N2O5 MolecularWeight: 262.2182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O5/c1-19-12(18)9-6-10(15)14(13-9)8-4-2-7(3-5-8)11(16)17/h2-5H,6H2,1H3,(H,16,17)