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

Systemtic Name: 2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone Openeye Name: 2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone CAS Name: 2-(2-amino-3-methyl-1-benzimidazol-3-iumyl)-1-(4-nitrophenyl)ethanone IUPAC Name: 2-(2-amino-3-methylbenzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone Traditional Name: 2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone Formula: C16H15N4O3+ MolecularWeight: 311.3153

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C16H14N4O3/c1-18-13-4-2-3-5-14(13)19(16(18)17)10-15(21)11-6-8-12(9-7-11)20(22)23/h2-9,17H,10H2,1H3/p+1