2-[4,5-dimethyl-2-(3-nitrophenyl)-3-oxidanidyl-imidazol-3-ium-1-yl]ethanoic acid

Systemtic Name: 2-[4,5-dimethyl-2-(3-nitrophenyl)-3-oxidanidyl-imidazol-3-ium-1-yl]ethanoic acid Openeye Name: 2-[4,5-dimethyl-2-(3-nitrophenyl)-3-oxido-imidazol-3-ium-1-yl]acetic acid CAS Name: 2-[4,5-dimethyl-2-(3-nitrophenyl)-3-oxido-1-imidazol-3-iumyl]acetic acid IUPAC Name: 2-[4,5-dimethyl-2-(3-nitrophenyl)-3-oxidoimidazol-3-ium-1-yl]acetic acid Traditional Name: 2-[4,5-dimethyl-2-(3-nitrophenyl)-3-oxido-imidazol-3-ium-1-yl]acetic acid Formula: C13H13N3O5 MolecularWeight: 291.25942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=C(N1CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])[O-])C

Isomeric SMILES

CC1=C([N+](=C(N1CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])[O-])C

InChI

InChI=1S/C13H13N3O5/c1-8-9(2)15(19)13(14(8)7-12(17)18)10-4-3-5-11(6-10)16(20)21/h3-6H,7H2,1-2H3,(H,17,18)