N-(2-methyl-3-nitro-phenyl)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanamide chloride

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanamide chloride Openeye Name: 2-(4-benzoylpyridin-1-ium-1-yl)-N-(2-methyl-3-nitro-phenyl)acetamide chloride CAS Name: 2-(4-benzoyl-1-pyridin-1-iumyl)-N-(2-methyl-3-nitrophenyl)acetamide chloride IUPAC Name: 2-(4-benzoylpyridin-1-ium-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide chloride Traditional Name: 2-(4-benzoylpyridin-1-ium-1-yl)-N-(2-methyl-3-nitro-phenyl)acetamide chloride Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C21H17N3O4.ClH/c1-15-18(8-5-9-19(15)24(27)28)22-20(25)14-23-12-10-17(11-13-23)21(26)16-6-3-2-4-7-16;/h2-13H,14H2,1H3;1H