dimethyl 1,1,2,6-tetramethyl-4-(3-methyl-2-nitro-phenyl)-4H-pyridin-1-ium-3,5-dicarboxylate

Systemtic Name: dimethyl 1,1,2,6-tetramethyl-4-(3-methyl-2-nitro-phenyl)-4H-pyridin-1-ium-3,5-dicarboxylate Openeye Name: dimethyl 1,1,2,6-tetramethyl-4-(3-methyl-2-nitro-phenyl)-4H-pyridin-1-ium-3,5-dicarboxylate CAS Name: 1,1,2,6-tetramethyl-4-(3-methyl-2-nitrophenyl)-4H-pyridin-1-ium-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1,1,2,6-tetramethyl-4-(3-methyl-2-nitrophenyl)-4H-pyridin-1-ium-3,5-dicarboxylate Traditional Name: 1,1,2,6-tetramethyl-4-(3-methyl-2-nitro-phenyl)-4H-pyridin-1-ium-3,5-dicarboxylic acid dimethyl ester Formula: C20H25N2O6+ MolecularWeight: 389.4223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N2O6/c1-11-9-8-10-14(18(11)21(25)26)17-15(19(23)27-6)12(2)22(4,5)13(3)16(17)20(24)28-7/h8-10,17H,1-7H3/q+1