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

Systemtic Name: diethyl 1,2-dimethyl-4-(3-nitrophenyl)-1-(propanoyloxymethyl)-4H-pyridin-1-ium-3,5-dicarboxylate Openeye Name: diethyl 1,2-dimethyl-4-(3-nitrophenyl)-1-(propanoyloxymethyl)-4H-pyridin-1-ium-3,5-dicarboxylate CAS Name: 1,2-dimethyl-4-(3-nitrophenyl)-1-(1-oxopropoxymethyl)-4H-pyridin-1-ium-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1,2-dimethyl-4-(3-nitrophenyl)-1-(propanoyloxymethyl)-4H-pyridin-1-ium-3,5-dicarboxylate Traditional Name: 1,2-dimethyl-4-(3-nitrophenyl)-1-(propionyloxymethyl)-4H-pyridin-1-ium-3,5-dicarboxylic acid diethyl ester Formula: C23H29N2O8+ MolecularWeight: 461.48496

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC[N+]1(C=C(C(C(=C1C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCC(=O)OC[N+]1(C=C(C(C(=C1C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C23H29N2O8/c1-6-19(26)33-14-25(5)13-18(22(27)31-7-2)21(20(15(25)4)23(28)32-8-3)16-10-9-11-17(12-16)24(29)30/h9-13,21H,6-8,14H2,1-5H3/q+1