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

Systemtic Name: (1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanol Openeye Name: (1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanol CAS Name: (1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-4-nitro-1-imidazolyl)ethanol IUPAC Name: (1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-4-nitroimidazol-1-yl)ethanol Traditional Name: (1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanol Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NC(=CN1C[C@H](C2=CC3=C(C=C2)OCCCO3)O)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O5/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/h3-4,7,9,12,19H,2,5-6,8H2,1H3/t12-/m1/s1