dimethyl 1,1-dimethyl-4-(2-nitrophenyl)-4H-pyridin-1-ium-3,5-dicarboxylate

Systemtic Name: dimethyl 1,1-dimethyl-4-(2-nitrophenyl)-4H-pyridin-1-ium-3,5-dicarboxylate Openeye Name: dimethyl 1,1-dimethyl-4-(2-nitrophenyl)-4H-pyridin-1-ium-3,5-dicarboxylate CAS Name: 1,1-dimethyl-4-(2-nitrophenyl)-4H-pyridin-1-ium-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1,1-dimethyl-4-(2-nitrophenyl)-4H-pyridin-1-ium-3,5-dicarboxylate Traditional Name: 1,1-dimethyl-4-(2-nitrophenyl)-4H-pyridin-1-ium-3,5-dicarboxylic acid dimethyl ester Formula: C17H19N2O6+ MolecularWeight: 347.34256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=C(C(C(=C1)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

C[N+]1(C=C(C(C(=C1)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C17H19N2O6/c1-19(2)9-12(16(20)24-3)15(13(10-19)17(21)25-4)11-7-5-6-8-14(11)18(22)23/h5-10,15H,1-4H3/q+1