2-[2-azanyl-4-(1,3-benzodioxol-5-yl)-3-methyl-imidazol-1-ium-1-yl]-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-[2-azanyl-4-(1,3-benzodioxol-5-yl)-3-methyl-imidazol-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[2-amino-4-(1,3-benzodioxol-5-yl)-3-methyl-imidazol-1-ium-1-yl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[2-amino-4-(1,3-benzodioxol-5-yl)-3-methyl-1-imidazol-1-iumyl]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[2-amino-4-(1,3-benzodioxol-5-yl)-3-methylimidazol-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[2-amino-4-(1,3-benzodioxol-5-yl)-3-methyl-imidazol-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Formula: C19H17N4O5+ MolecularWeight: 381.36208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C[N+](=C1N)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=C[N+](=C1N)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H16N4O5/c1-21-15(12-5-6-17-18(8-12)28-11-27-17)9-22(19(21)20)10-16(24)13-3-2-4-14(7-13)23(25)26/h2-9,20H,10-11H2,1H3/p+1