4-(3,5-dimethyl-1H-pyrrol-2-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(3,5-dimethyl-1H-pyrrol-2-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(3,5-dimethyl-1H-pyrrol-2-yl)-4-oxo-butanoic acid CAS Name: 4-(3,5-dimethyl-1H-pyrrol-2-yl)-4-oxobutanoic acid IUPAC Name: 4-(3,5-dimethyl-1H-pyrrol-2-yl)-4-oxobutanoic acid Traditional Name: 4-(3,5-dimethyl-1H-pyrrol-2-yl)-4-keto-butyric acid Formula: C10H13NO3 MolecularWeight: 196.208529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C(=O)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=C([15NH]1)C(=O)CCC(=O)O)C

InChI

InChI=1S/C10H13NO3/c1-6-5-7(2)11-10(6)8(12)3-4-9(13)14/h5,11H,3-4H2,1-2H3,(H,13,14)/i11+1