1-[bis(2-methylpropyl)amino]-3-(4-nitrophenoxy)propan-2-ol hydrochloride

Systemtic Name: 1-[bis(2-methylpropyl)amino]-3-(4-nitrophenoxy)propan-2-ol hydrochloride Openeye Name: 1-(diisobutylamino)-3-(4-nitrophenoxy)propan-2-ol hydrochloride CAS Name: 1-[bis(2-methylpropyl)amino]-3-(4-nitrophenoxy)-2-propanol hydrochloride IUPAC Name: 1-[bis(2-methylpropyl)amino]-3-(4-nitrophenoxy)propan-2-ol hydrochloride Traditional Name: 1-(diisobutylamino)-3-(4-nitrophenoxy)propan-2-ol hydrochloride Formula: C17H29ClN2O4 MolecularWeight: 360.87616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)CC(COC1=CC=C(C=C1)[N+](=O)[O-])O.Cl

Isomeric SMILES

CC(C)CN(CC(C)C)CC(COC1=CC=C(C=C1)[N+](=O)[O-])O.Cl

InChI

InChI=1S/C17H28N2O4.ClH/c1-13(2)9-18(10-14(3)4)11-16(20)12-23-17-7-5-15(6-8-17)19(21)22;/h5-8,13-14,16,20H,9-12H2,1-4H3;1H