2-(2-azanyl-3-methyl-4-phenyl-imidazol-1-ium-1-yl)-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-(2-azanyl-3-methyl-4-phenyl-imidazol-1-ium-1-yl)-1-(3-nitrophenyl)ethanone Openeye Name: 2-(2-amino-3-methyl-4-phenyl-imidazol-1-ium-1-yl)-1-(3-nitrophenyl)ethanone CAS Name: 2-(2-amino-3-methyl-4-phenyl-1-imidazol-1-iumyl)-1-(3-nitrophenyl)ethanone IUPAC Name: 2-(2-amino-3-methyl-4-phenylimidazol-1-ium-1-yl)-1-(3-nitrophenyl)ethanone Traditional Name: 2-(2-amino-3-methyl-4-phenyl-imidazol-1-ium-1-yl)-1-(3-nitrophenyl)ethanone Formula: C18H17N4O3+ MolecularWeight: 337.35258

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C[N+](=C1N)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN1C(=C[N+](=C1N)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H16N4O3/c1-20-16(13-6-3-2-4-7-13)11-21(18(20)19)12-17(23)14-8-5-9-15(10-14)22(24)25/h2-11,19H,12H2,1H3/p+1