1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanone

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanone Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanone CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-4-nitro-1-imidazolyl)ethanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-4-nitroimidazol-1-yl)ethanone Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanone Formula: C15H15N3O5 MolecularWeight: 317.2967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CC(=O)C2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1CC(=O)C2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O5/c1-10-16-15(18(20)21)9-17(10)8-12(19)11-3-4-13-14(7-11)23-6-2-5-22-13/h3-4,7,9H,2,5-6,8H2,1H3