ethyl 4-[3-(2-nitrophenoxy)-2-oxidanyl-propyl]piperazine-1-carboxylate hydrochloride

Systemtic Name: ethyl 4-[3-(2-nitrophenoxy)-2-oxidanyl-propyl]piperazine-1-carboxylate hydrochloride Openeye Name: ethyl 4-[2-hydroxy-3-(2-nitrophenoxy)propyl]piperazine-1-carboxylate hydrochloride CAS Name: 4-[2-hydroxy-3-(2-nitrophenoxy)propyl]-1-piperazinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[2-hydroxy-3-(2-nitrophenoxy)propyl]piperazine-1-carboxylate hydrochloride Traditional Name: 4-[2-hydroxy-3-(2-nitrophenoxy)propyl]piperazine-1-carboxylic acid ethyl ester hydrochloride Formula: C16H24ClN3O6 MolecularWeight: 389.83126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(COC2=CC=CC=C2[N+](=O)[O-])O.Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(COC2=CC=CC=C2[N+](=O)[O-])O.Cl

InChI

InChI=1S/C16H23N3O6.ClH/c1-2-24-16(21)18-9-7-17(8-10-18)11-13(20)12-25-15-6-4-3-5-14(15)19(22)23;/h3-6,13,20H,2,7-12H2,1H3;1H