1-[tert-butyl-[(4-nitrophenyl)methyl]amino]-3-phenoxy-propan-2-ol hydrochloride

Systemtic Name: 1-[tert-butyl-[(4-nitrophenyl)methyl]amino]-3-phenoxy-propan-2-ol hydrochloride Openeye Name: 1-[tert-butyl-[(4-nitrophenyl)methyl]amino]-3-phenoxy-propan-2-ol hydrochloride CAS Name: 1-[tert-butyl-[(4-nitrophenyl)methyl]amino]-3-phenoxy-2-propanol hydrochloride IUPAC Name: 1-[tert-butyl-[(4-nitrophenyl)methyl]amino]-3-phenoxypropan-2-ol hydrochloride Traditional Name: 1-[tert-butyl-(4-nitrobenzyl)amino]-3-phenoxy-propan-2-ol hydrochloride Formula: C20H27ClN2O4 MolecularWeight: 394.89238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=C(C=C1)[N+](=O)[O-])CC(COC2=CC=CC=C2)O.Cl

Isomeric SMILES

CC(C)(C)N(CC1=CC=C(C=C1)[N+](=O)[O-])CC(COC2=CC=CC=C2)O.Cl

InChI

InChI=1S/C20H26N2O4.ClH/c1-20(2,3)21(13-16-9-11-17(12-10-16)22(24)25)14-18(23)15-26-19-7-5-4-6-8-19;/h4-12,18,23H,13-15H2,1-3H3;1H