1-(4-tert-butyl-2-methyl-phenoxy)-3-(4-nitroimidazol-1-yl)propan-2-ol

Systemtic Name: 1-(4-tert-butyl-2-methyl-phenoxy)-3-(4-nitroimidazol-1-yl)propan-2-ol Openeye Name: 1-(4-tert-butyl-2-methyl-phenoxy)-3-(4-nitroimidazol-1-yl)propan-2-ol CAS Name: 1-(4-tert-butyl-2-methylphenoxy)-3-(4-nitro-1-imidazolyl)-2-propanol IUPAC Name: 1-(4-tert-butyl-2-methylphenoxy)-3-(4-nitroimidazol-1-yl)propan-2-ol Traditional Name: 1-(4-tert-butyl-2-methyl-phenoxy)-3-(4-nitroimidazol-1-yl)propan-2-ol Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2C=C(N=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2C=C(N=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H23N3O4/c1-12-7-13(17(2,3)4)5-6-15(12)24-10-14(21)8-19-9-16(18-11-19)20(22)23/h5-7,9,11,14,21H,8,10H2,1-4H3