1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-4-nitro-1-imidazolyl)ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-4-nitroimidazol-1-yl)ethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanone Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CC(=O)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1CC(=O)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O5/c1-9-15-14(17(19)20)8-16(9)7-11(18)10-2-3-12-13(6-10)22-5-4-21-12/h2-3,6,8H,4-5,7H2,1H3