N-(2-methoxy-4-nitro-phenyl)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanamide chloride

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanamide chloride Openeye Name: 2-(4-benzoylpyridin-1-ium-1-yl)-N-(2-methoxy-4-nitro-phenyl)acetamide chloride CAS Name: 2-(4-benzoyl-1-pyridin-1-iumyl)-N-(2-methoxy-4-nitrophenyl)acetamide chloride IUPAC Name: 2-(4-benzoylpyridin-1-ium-1-yl)-N-(2-methoxy-4-nitrophenyl)acetamide chloride Traditional Name: 2-(4-benzoylpyridin-1-ium-1-yl)-N-(2-methoxy-4-nitro-phenyl)acetamide chloride Formula: C21H18ClN3O5 MolecularWeight: 427.83772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H17N3O5.ClH/c1-29-19-13-17(24(27)28)7-8-18(19)22-20(25)14-23-11-9-16(10-12-23)21(26)15-5-3-2-4-6-15;/h2-13H,14H2,1H3;1H