4-(3-oxidanylidene-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)benzoic acid

Systemtic Name: 4-(3-oxidanylidene-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)benzoic acid Openeye Name: 4-(3-oxo-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)benzoic acid CAS Name: 4-(3-oxo-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)benzoic acid IUPAC Name: 4-(3-oxo-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)benzoic acid Traditional Name: 4-(3-keto-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)benzoic acid Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C1

Isomeric SMILES

C1CC2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C1

InChI

InChI=1S/C13H12N2O3/c16-12-10-2-1-3-11(10)14-15(12)9-6-4-8(5-7-9)13(17)18/h4-7,10H,1-3H2,(H,17,18)