diethyl 2,6-dimethyl-4-(4-nitrophenyl)-1-phenyl-pyridin-1-ium-3,5-dicarboxylate

Systemtic Name: diethyl 2,6-dimethyl-4-(4-nitrophenyl)-1-phenyl-pyridin-1-ium-3,5-dicarboxylate Openeye Name: diethyl 2,6-dimethyl-4-(4-nitrophenyl)-1-phenyl-pyridin-1-ium-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(4-nitrophenyl)-1-phenylpyridin-1-ium-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,6-dimethyl-4-(4-nitrophenyl)-1-phenylpyridin-1-ium-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(4-nitrophenyl)-1-phenyl-pyridin-1-ium-3,5-dicarboxylic acid diethyl ester Formula: C25H25N2O6+ MolecularWeight: 449.4758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](=C(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC)C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C([N+](=C(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC)C)C3=CC=CC=C3)C

InChI

InChI=1S/C25H25N2O6/c1-5-32-24(28)21-16(3)26(19-10-8-7-9-11-19)17(4)22(25(29)33-6-2)23(21)18-12-14-20(15-13-18)27(30)31/h7-15H,5-6H2,1-4H3/q+1