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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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