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

Systemtic Name: 2-[2-azanyl-3-methyl-4-(3-nitrophenyl)imidazol-1-ium-1-yl]-1-phenyl-ethanone Openeye Name: 2-[2-amino-3-methyl-4-(3-nitrophenyl)imidazol-1-ium-1-yl]-1-phenyl-ethanone CAS Name: 2-[2-amino-3-methyl-4-(3-nitrophenyl)-1-imidazol-1-iumyl]-1-phenylethanone IUPAC Name: 2-[2-amino-3-methyl-4-(3-nitrophenyl)imidazol-1-ium-1-yl]-1-phenylethanone Traditional Name: 2-[2-amino-3-methyl-4-(3-nitrophenyl)imidazol-1-ium-1-yl]-1-phenyl-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)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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