N-(2-methyl-3-nitro-phenyl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide chloride

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide chloride Openeye Name: 2-(3-hydroxypyridin-1-ium-1-yl)-N-(2-methyl-3-nitro-phenyl)acetamide chloride CAS Name: 2-(3-hydroxy-1-pyridin-1-iumyl)-N-(2-methyl-3-nitrophenyl)acetamide chloride IUPAC Name: 2-(3-hydroxypyridin-1-ium-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide chloride Traditional Name: 2-(3-hydroxypyridin-1-ium-1-yl)-N-(2-methyl-3-nitro-phenyl)acetamide chloride Formula: C14H14ClN3O4 MolecularWeight: 323.73166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C[N+]2=CC=CC(=C2)O.[Cl-]

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C[N+]2=CC=CC(=C2)O.[Cl-]

InChI

InChI=1S/C14H13N3O4.ClH/c1-10-12(5-2-6-13(10)17(20)21)15-14(19)9-16-7-3-4-11(18)8-16;/h2-8H,9H2,1H3,(H-,15,18,19);1H