1-(2-azanyl-5-tert-butyl-3-nitro-phenoxy)-3-(tert-butylamino)propan-2-ol hydrochloride

Systemtic Name: 1-(2-azanyl-5-tert-butyl-3-nitro-phenoxy)-3-(tert-butylamino)propan-2-ol hydrochloride Openeye Name: 1-(2-amino-5-tert-butyl-3-nitro-phenoxy)-3-(tert-butylamino)propan-2-ol hydrochloride CAS Name: 1-(2-amino-5-tert-butyl-3-nitrophenoxy)-3-(tert-butylamino)-2-propanol hydrochloride IUPAC Name: 1-(2-amino-5-tert-butyl-3-nitrophenoxy)-3-(tert-butylamino)propan-2-ol hydrochloride Traditional Name: 1-(2-amino-5-tert-butyl-3-nitro-phenoxy)-3-(tert-butylamino)propan-2-ol hydrochloride Formula: C17H30ClN3O4 MolecularWeight: 375.8908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)OCC(CNC(C)(C)C)O)N)[N+](=O)[O-].Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)OCC(CNC(C)(C)C)O)N)[N+](=O)[O-].Cl

InChI

InChI=1S/C17H29N3O4.ClH/c1-16(2,3)11-7-13(20(22)23)15(18)14(8-11)24-10-12(21)9-19-17(4,5)6;/h7-8,12,19,21H,9-10,18H2,1-6H3;1H