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

Systemtic Name: 2-(2-ethoxy-2-oxidanylidene-ethyl)-6-methyl-4-(1-oxidanidylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-(2-ethoxy-2-oxo-ethyl)-6-methyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-(2-ethoxy-2-oxoethyl)-6-methyl-4-(1-oxido-3-pyridin-1-iumyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-(2-ethoxy-2-oxoethyl)-6-methyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-(2-ethoxy-2-keto-ethyl)-6-methyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C17H18N2O7 MolecularWeight: 362.33402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O7/c1-3-26-12(20)7-11-15(17(23)24)14(10-5-4-6-19(25)8-10)13(16(21)22)9(2)18-11/h4-6,8,14,18H,3,7H2,1-2H3,(H,21,22)(H,23,24)