2-tert-butyl-4-methoxy-5-[(1-methyl-5-nitro-imidazol-2-yl)-oxidanyl-methyl]phenol

Systemtic Name: 2-tert-butyl-4-methoxy-5-[(1-methyl-5-nitro-imidazol-2-yl)-oxidanyl-methyl]phenol Openeye Name: 2-tert-butyl-5-[hydroxy-(1-methyl-5-nitro-imidazol-2-yl)methyl]-4-methoxy-phenol CAS Name: 2-tert-butyl-5-[hydroxy-(1-methyl-5-nitro-2-imidazolyl)methyl]-4-methoxyphenol IUPAC Name: 2-tert-butyl-5-[hydroxy-(1-methyl-5-nitroimidazol-2-yl)methyl]-4-methoxyphenol Traditional Name: 2-tert-butyl-5-[hydroxy-(1-methyl-5-nitro-imidazol-2-yl)methyl]-4-methoxy-phenol Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C(=C1)OC)C(C2=NC=C(N2C)[N+](=O)[O-])O)O

Isomeric SMILES

CC(C)(C)C1=C(C=C(C(=C1)OC)C(C2=NC=C(N2C)[N+](=O)[O-])O)O

InChI

InChI=1S/C16H21N3O5/c1-16(2,3)10-7-12(24-5)9(6-11(10)20)14(21)15-17-8-13(18(15)4)19(22)23/h6-8,14,20-21H,1-5H3