2-cyano-6-methyl-4-(1-oxidanidylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-cyano-6-methyl-4-(1-oxidanidylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-cyano-6-methyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-cyano-6-methyl-4-(1-oxido-3-pyridin-1-iumyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-cyano-6-methyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-cyano-6-methyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C14H11N3O5 MolecularWeight: 301.25424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C#N)C(=O)O)C2=C[N+](=CC=C2)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C#N)C(=O)O)C2=C[N+](=CC=C2)[O-])C(=O)O

InChI

InChI=1S/C14H11N3O5/c1-7-10(13(18)19)11(8-3-2-4-17(22)6-8)12(14(20)21)9(5-15)16-7/h2-4,6,11,16H,1H3,(H,18,19)(H,20,21)