2-[(E)-hydroxyiminomethyl]-6-methyl-4-(2-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-[(E)-hydroxyiminomethyl]-6-methyl-4-(2-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-[(E)-hydroxyiminomethyl]-6-methyl-4-(2-methyl-1-oxido-pyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-[(E)-hydroxyiminomethyl]-6-methyl-4-(2-methyl-1-oxido-3-pyridin-1-iumyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-[(E)-hydroxyiminomethyl]-6-methyl-4-(2-methyl-1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-[(E)-hydroximinomethyl]-6-methyl-4-(2-methyl-1-oxido-pyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C15H15N3O6 MolecularWeight: 333.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C=NO)C(=O)O)C2=C([N+](=CC=C2)[O-])C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O6/c1-7-11(14(19)20)12(9-4-3-5-18(24)8(9)2)13(15(21)22)10(17-7)6-16-23/h3-6,12,17,23H,1-2H3,(H,19,20)(H,21,22)/b16-6+