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

Systemtic Name: 1-[bis(2-hydroxyethyl)amino]-3-(4-nitrophenoxy)propan-2-ol hydrochloride Openeye Name: 1-[bis(2-hydroxyethyl)amino]-3-(4-nitrophenoxy)propan-2-ol hydrochloride CAS Name: 1-[bis(2-hydroxyethyl)amino]-3-(4-nitrophenoxy)-2-propanol hydrochloride IUPAC Name: 1-[bis(2-hydroxyethyl)amino]-3-(4-nitrophenoxy)propan-2-ol hydrochloride Traditional Name: 1-[bis(2-hydroxyethyl)amino]-3-(4-nitrophenoxy)propan-2-ol hydrochloride Formula: C13H21ClN2O6 MolecularWeight: 336.76864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OCC(CN(CCO)CCO)O.Cl

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OCC(CN(CCO)CCO)O.Cl

InChI

InChI=1S/C13H20N2O6.ClH/c16-7-5-14(6-8-17)9-12(18)10-21-13-3-1-11(2-4-13)15(19)20;/h1-4,12,16-18H,5-10H2;1H