2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-1-phenyl-ethanone

Systemtic Name: 2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-1-phenyl-ethanone Openeye Name: 2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-1-phenyl-ethanone CAS Name: 2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-1-imidazol-1-iumyl]-1-phenylethanone IUPAC Name: 2-[3-(2-hydroxyethyl)-2-methyl-4-nitroimidazol-1-ium-1-yl]-1-phenylethanone Traditional Name: 2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-1-phenyl-ethanone Formula: C14H16N3O4+ MolecularWeight: 290.29454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(N1CCO)[N+](=O)[O-])CC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=[N+](C=C(N1CCO)[N+](=O)[O-])CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H16N3O4/c1-11-15(9-13(19)12-5-3-2-4-6-12)10-14(17(20)21)16(11)7-8-18/h2-6,10,18H,7-9H2,1H3/q+1