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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1CC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

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