1-(2-tert-butylphenoxy)-3-[2-[(5-nitropyridin-2-yl)amino]ethylamino]propan-2-ol

Systemtic Name: 1-(2-tert-butylphenoxy)-3-[2-[(5-nitropyridin-2-yl)amino]ethylamino]propan-2-ol Openeye Name: 1-(2-tert-butylphenoxy)-3-[2-[(5-nitro-2-pyridyl)amino]ethylamino]propan-2-ol CAS Name: 1-(2-tert-butylphenoxy)-3-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-2-propanol IUPAC Name: 1-(2-tert-butylphenoxy)-3-[2-[(5-nitropyridin-2-yl)amino]ethylamino]propan-2-ol Traditional Name: 1-(2-tert-butylphenoxy)-3-[2-[(5-nitro-2-pyridyl)amino]ethylamino]propan-2-ol Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(CNCCNC2=NC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCC(CNCCNC2=NC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C20H28N4O4/c1-20(2,3)17-6-4-5-7-18(17)28-14-16(25)13-21-10-11-22-19-9-8-15(12-23-19)24(26)27/h4-9,12,16,21,25H,10-11,13-14H2,1-3H3,(H,22,23)