2-(4-methyl-1,3-benzodioxol-5-yl)-1-(5-nitro-1H-imidazol-2-yl)ethanone

Systemtic Name: 2-(4-methyl-1,3-benzodioxol-5-yl)-1-(5-nitro-1H-imidazol-2-yl)ethanone Openeye Name: 2-(4-methyl-1,3-benzodioxol-5-yl)-1-(5-nitro-1H-imidazol-2-yl)ethanone CAS Name: 2-(4-methyl-1,3-benzodioxol-5-yl)-1-(5-nitro-1H-imidazol-2-yl)ethanone IUPAC Name: 2-(4-methyl-1,3-benzodioxol-5-yl)-1-(5-nitro-1H-imidazol-2-yl)ethanone Traditional Name: 2-(4-methyl-1,3-benzodioxol-5-yl)-1-(5-nitro-1H-imidazol-2-yl)ethanone Formula: C13H11N3O5 MolecularWeight: 289.24354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OCO2)CC(=O)C3=NC=C(N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC2=C1OCO2)CC(=O)C3=NC=C(N3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O5/c1-7-8(2-3-10-12(7)21-6-20-10)4-9(17)13-14-5-11(15-13)16(18)19/h2-3,5H,4,6H2,1H3,(H,14,15)