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

Systemtic Name: 2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-1-imidazol-1-iumyl]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[3-(2-hydroxyethyl)-2-methyl-4-nitroimidazol-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Formula: C14H15N4O6+ MolecularWeight: 335.2921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N4O6/c1-10-15(9-14(18(23)24)16(10)5-6-19)8-13(20)11-3-2-4-12(7-11)17(21)22/h2-4,7,9,19H,5-6,8H2,1H3/q+1