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

Systemtic Name: 2-ethoxycarbonyl-6-methyl-4-(1-oxidanidylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-ethoxycarbonyl-6-methyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-ethoxycarbonyl-6-methyl-4-(1-oxido-3-pyridin-1-iumyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-ethoxycarbonyl-6-methyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-carbethoxy-6-methyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C16H16N2O7 MolecularWeight: 348.30744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(C(=C(N1)C)C(=O)O)C2=C[N+](=CC=C2)[O-])C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C(C(=C(N1)C)C(=O)O)C2=C[N+](=CC=C2)[O-])C(=O)O

InChI

InChI=1S/C16H16N2O7/c1-3-25-16(23)13-12(15(21)22)11(9-5-4-6-18(24)7-9)10(14(19)20)8(2)17-13/h4-7,11,17H,3H2,1-2H3,(H,19,20)(H,21,22)