4-(4,4-dimethyl-3-oxidanylidene-pyrazolidin-1-yl)benzoic acid

Systemtic Name: 4-(4,4-dimethyl-3-oxidanylidene-pyrazolidin-1-yl)benzoic acid Openeye Name: 4-(4,4-dimethyl-3-oxo-pyrazolidin-1-yl)benzoic acid CAS Name: 4-(4,4-dimethyl-3-oxo-1-pyrazolidinyl)benzoic acid IUPAC Name: 4-(4,4-dimethyl-3-oxopyrazolidin-1-yl)benzoic acid Traditional Name: 4-(3-keto-4,4-dimethyl-pyrazolidin-1-yl)benzoic acid Formula: C12H14N2O3 MolecularWeight: 234.25116

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(NC1=O)C2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1(CN(NC1=O)C2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C12H14N2O3/c1-12(2)7-14(13-11(12)17)9-5-3-8(4-6-9)10(15)16/h3-6H,7H2,1-2H3,(H,13,17)(H,15,16)