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

Systemtic Name: (1S)-1-(4-methoxyphenyl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanol Openeye Name: (1S)-1-(4-methoxyphenyl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanol CAS Name: (1S)-1-(4-methoxyphenyl)-2-(2-methyl-4-nitro-1-imidazolyl)ethanol IUPAC Name: (1S)-1-(4-methoxyphenyl)-2-(2-methyl-4-nitroimidazol-1-yl)ethanol Traditional Name: (1S)-1-(4-methoxyphenyl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanol Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4/c1-9-14-13(16(18)19)8-15(9)7-12(17)10-3-5-11(20-2)6-4-10/h3-6,8,12,17H,7H2,1-2H3/t12-/m1/s1