dimethyl 1,2,6-trimethyl-4-(3-methyl-2-nitro-phenyl)-4H-pyridine-3,5-dicarboxylate; pyridine-3,5-dicarboxylic acid

Systemtic Name: dimethyl 1,2,6-trimethyl-4-(3-methyl-2-nitro-phenyl)-4H-pyridine-3,5-dicarboxylate; pyridine-3,5-dicarboxylic acid Openeye Name: dimethyl 1,2,6-trimethyl-4-(3-methyl-2-nitro-phenyl)-4H-pyridine-3,5-dicarboxylate; pyridine-3,5-dicarboxylic acid CAS Name: pyridine-3,5-dicarboxylic acid; 1,2,6-trimethyl-4-(3-methyl-2-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1,2,6-trimethyl-4-(3-methyl-2-nitrophenyl)-4H-pyridine-3,5-dicarboxylate; pyridine-3,5-dicarboxylic acid Traditional Name: dinicotinic acid; 1,2,6-trimethyl-4-(3-methyl-2-nitro-phenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C26H27N3O10 MolecularWeight: 541.50668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C2C(=C(N(C(=C2C(=O)OC)C)C)C)C(=O)OC.C1=C(C=NC=C1C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C2C(=C(N(C(=C2C(=O)OC)C)C)C)C(=O)OC.C1=C(C=NC=C1C(=O)O)C(=O)O

InChI

InChI=1S/C19H22N2O6.C7H5NO4/c1-10-8-7-9-13(17(10)21(24)25)16-14(18(22)26-5)11(2)20(4)12(3)15(16)19(23)27-6;9-6(10)4-1-5(7(11)12)3-8-2-4/h7-9,16H,1-6H3;1-3H,(H,9,10)(H,11,12)