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

Systemtic Name: (1S)-1-(1,3-benzodioxol-5-yl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanol Openeye Name: (1S)-1-(1,3-benzodioxol-5-yl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanol CAS Name: (1S)-1-(1,3-benzodioxol-5-yl)-2-(2-methyl-4-nitro-1-imidazolyl)ethanol IUPAC Name: (1S)-1-(1,3-benzodioxol-5-yl)-2-(2-methyl-4-nitroimidazol-1-yl)ethanol Traditional Name: (1S)-1-(1,3-benzodioxol-5-yl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanol Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NC(=CN1C[C@H](C2=CC3=C(C=C2)OCO3)O)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c1-8-14-13(16(18)19)6-15(8)5-10(17)9-2-3-11-12(4-9)21-7-20-11/h2-4,6,10,17H,5,7H2,1H3/t10-/m1/s1