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

Systemtic Name: 1-[tert-butyl-(phenylmethyl)amino]-3-(3-methyl-4-nitro-phenoxy)propan-2-ol Openeye Name: 1-[benzyl(tert-butyl)amino]-3-(3-methyl-4-nitro-phenoxy)propan-2-ol CAS Name: 1-[tert-butyl-(phenylmethyl)amino]-3-(3-methyl-4-nitrophenoxy)-2-propanol IUPAC Name: 1-[benzyl(tert-butyl)amino]-3-(3-methyl-4-nitrophenoxy)propan-2-ol Traditional Name: 1-[benzyl(tert-butyl)amino]-3-(3-methyl-4-nitro-phenoxy)propan-2-ol Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(CN(CC2=CC=CC=C2)C(C)(C)C)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(CN(CC2=CC=CC=C2)C(C)(C)C)O)[N+](=O)[O-]

InChI

InChI=1S/C21H28N2O4/c1-16-12-19(10-11-20(16)23(25)26)27-15-18(24)14-22(21(2,3)4)13-17-8-6-5-7-9-17/h5-12,18,24H,13-15H2,1-4H3