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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C[N+](=C1N)CC(=O)C2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=C[N+](=C1N)CC(=O)C2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

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