6-ethoxycarbonyl-4-(4-methylphenyl)-1-(4-nitrophenyl)pyridin-1-ium-2-carboxylate

Systemtic Name: 6-ethoxycarbonyl-4-(4-methylphenyl)-1-(4-nitrophenyl)pyridin-1-ium-2-carboxylate Openeye Name: 6-ethoxycarbonyl-1-(4-nitrophenyl)-4-(p-tolyl)pyridin-1-ium-2-carboxylate CAS Name: 6-ethoxycarbonyl-4-(4-methylphenyl)-1-(4-nitrophenyl)-2-pyridin-1-iumcarboxylate IUPAC Name: 6-ethoxycarbonyl-4-(4-methylphenyl)-1-(4-nitrophenyl)pyridin-1-ium-2-carboxylate Traditional Name: 6-carbethoxy-1-(4-nitrophenyl)-4-(p-tolyl)pyridin-1-ium-2-carboxylate Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=[N+]1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-])C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=[N+]1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-])C3=CC=C(C=C3)C

InChI

InChI=1S/C22H18N2O6/c1-3-30-22(27)20-13-16(15-6-4-14(2)5-7-15)12-19(21(25)26)23(20)17-8-10-18(11-9-17)24(28)29/h4-13H,3H2,1-2H3