4-methyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoic acid

Systemtic Name: 4-methyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoic acid Openeye Name: 4-methyl-3-(2-oxopyrrolidin-1-yl)benzoic acid CAS Name: 4-methyl-3-(2-oxo-1-pyrrolidinyl)benzoic acid IUPAC Name: 4-methyl-3-(2-oxopyrrolidin-1-yl)benzoic acid Traditional Name: 3-(2-ketopyrrolidino)-4-methyl-benzoic acid Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)N2CCCC2=O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N2CCCC2=O

InChI

InChI=1S/C12H13NO3/c1-8-4-5-9(12(15)16)7-10(8)13-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,15,16)