(1S)-2-(2-methyl-4-nitro-imidazol-1-yl)-1-phenyl-ethanol

Systemtic Name: (1S)-2-(2-methyl-4-nitro-imidazol-1-yl)-1-phenyl-ethanol Openeye Name: (1S)-2-(2-methyl-4-nitro-imidazol-1-yl)-1-phenyl-ethanol CAS Name: (1S)-2-(2-methyl-4-nitro-1-imidazolyl)-1-phenylethanol IUPAC Name: (1S)-2-(2-methyl-4-nitroimidazol-1-yl)-1-phenylethanol Traditional Name: (1S)-2-(2-methyl-4-nitro-imidazol-1-yl)-1-phenyl-ethanol Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CC(C2=CC=CC=C2)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3/c1-9-13-12(15(17)18)8-14(9)7-11(16)10-5-3-2-4-6-10/h2-6,8,11,16H,7H2,1H3/t11-/m1/s1