(3S)-1-(2,5-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3S)-1-(2,5-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3S)-1-(2,5-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3S)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,5-dimethylphenyl)-5-keto-pyrrolidine-3-carboxylate Formula: C13H14NO3- MolecularWeight: 232.25516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC(CC2=O)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C[C@H](CC2=O)C(=O)[O-]

InChI

InChI=1S/C13H15NO3/c1-8-3-4-9(2)11(5-8)14-7-10(13(16)17)6-12(14)15/h3-5,10H,6-7H2,1-2H3,(H,16,17)/p-1/t10-/m0/s1