ethanedioic acid; 1-ethyl-4-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperazine

Systemtic Name: ethanedioic acid; 1-ethyl-4-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperazine Openeye Name: 1-ethyl-4-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperazine; oxalic acid CAS Name: 1-ethyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]piperazine; oxalic acid IUPAC Name: 1-ethyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]piperazine; oxalic acid Traditional Name: 1-ethyl-4-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperazine; oxalic acid Formula: C17H25N3O7 MolecularWeight: 383.3963

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCOC2=CC(=C(C=C2)[N+](=O)[O-])C.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CCOC2=CC(=C(C=C2)[N+](=O)[O-])C.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H23N3O3.C2H2O4/c1-3-16-6-8-17(9-7-16)10-11-21-14-4-5-15(18(19)20)13(2)12-14;3-1(4)2(5)6/h4-5,12H,3,6-11H2,1-2H3;(H,3,4)(H,5,6)