ethanedioic acid; 1-ethyl-4-[2-[2-(4-nitrophenoxy)ethoxy]ethyl]piperazine

Systemtic Name: ethanedioic acid; 1-ethyl-4-[2-[2-(4-nitrophenoxy)ethoxy]ethyl]piperazine Openeye Name: 1-ethyl-4-[2-[2-(4-nitrophenoxy)ethoxy]ethyl]piperazine; oxalic acid CAS Name: 1-ethyl-4-[2-[2-(4-nitrophenoxy)ethoxy]ethyl]piperazine; oxalic acid IUPAC Name: 1-ethyl-4-[2-[2-(4-nitrophenoxy)ethoxy]ethyl]piperazine; oxalic acid Traditional Name: 1-ethyl-4-[2-[2-(4-nitrophenoxy)ethoxy]ethyl]piperazine; oxalic acid Formula: C18H27N3O8 MolecularWeight: 413.42228

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCOCCOC2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CCOCCOC2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25N3O4.C2H2O4/c1-2-17-7-9-18(10-8-17)11-12-22-13-14-23-16-5-3-15(4-6-16)19(20)21;3-1(4)2(5)6/h3-6H,2,7-14H2,1H3;(H,3,4)(H,5,6)