3-[2,6-dimethyl-5-(3-oxidanidyl-3-oxidanylidene-propyl)-1,4-dihydropyridin-3-yl]propanoate

Systemtic Name: 3-[2,6-dimethyl-5-(3-oxidanidyl-3-oxidanylidene-propyl)-1,4-dihydropyridin-3-yl]propanoate Openeye Name: 3-[2,6-dimethyl-5-(3-oxido-3-oxo-propyl)-1,4-dihydropyridin-3-yl]propanoate CAS Name: 3-[2,6-dimethyl-5-(3-oxido-3-oxopropyl)-1,4-dihydropyridin-3-yl]propanoate IUPAC Name: 3-[2,6-dimethyl-5-(3-oxido-3-oxopropyl)-1,4-dihydropyridin-3-yl]propanoate Traditional Name: 3-[5-(3-keto-3-oxido-propyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]propionate Formula: C13H17NO4-2 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(=C(N1)C)CCC(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

CC1=C(CC(=C(N1)C)CCC(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C13H19NO4/c1-8-10(3-5-12(15)16)7-11(9(2)14-8)4-6-13(17)18/h14H,3-7H2,1-2H3,(H,15,16)(H,17,18)/p-2