ethyl 4-(4-methylphenyl)-1-(5-nitropyridin-2-yl)-6-phenyl-pyridin-1-ium-2-carboxylate

Systemtic Name: ethyl 4-(4-methylphenyl)-1-(5-nitropyridin-2-yl)-6-phenyl-pyridin-1-ium-2-carboxylate Openeye Name: ethyl 1-(5-nitro-2-pyridyl)-6-phenyl-4-(p-tolyl)pyridin-1-ium-2-carboxylate CAS Name: 4-(4-methylphenyl)-1-(5-nitro-2-pyridinyl)-6-phenyl-2-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-1-(5-nitropyridin-2-yl)-6-phenylpyridin-1-ium-2-carboxylate Traditional Name: 1-(5-nitro-2-pyridyl)-6-phenyl-4-(p-tolyl)pyridin-1-ium-2-carboxylic acid ethyl ester Formula: C26H22N3O4+ MolecularWeight: 440.47058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=[N+]1C2=NC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=[N+]1C2=NC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H22N3O4/c1-3-33-26(30)24-16-21(19-11-9-18(2)10-12-19)15-23(20-7-5-4-6-8-20)28(24)25-14-13-22(17-27-25)29(31)32/h4-17H,3H2,1-2H3/q+1