2,6-dimethyl-4-(3-nitropyridin-2-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-dimethyl-4-(3-nitropyridin-2-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2,6-dimethyl-4-(3-nitro-2-pyridyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2,6-dimethyl-4-(3-nitro-2-pyridinyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-dimethyl-4-(3-nitropyridin-2-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2,6-dimethyl-4-(3-nitro-2-pyridyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C14H13N3O6 MolecularWeight: 319.26952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=C(C=CC=N2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=C(C=CC=N2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H13N3O6/c1-6-9(13(18)19)11(10(14(20)21)7(2)16-6)12-8(17(22)23)4-3-5-15-12/h3-5,11,16H,1-2H3,(H,18,19)(H,20,21)