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

Systemtic Name: ethanedioic acid; 1-ethyl-4-[4-(3-methyl-4-nitro-phenoxy)butyl]piperazine Openeye Name: 1-ethyl-4-[4-(3-methyl-4-nitro-phenoxy)butyl]piperazine; oxalic acid CAS Name: 1-ethyl-4-[4-(3-methyl-4-nitrophenoxy)butyl]piperazine; oxalic acid IUPAC Name: 1-ethyl-4-[4-(3-methyl-4-nitrophenoxy)butyl]piperazine; oxalic acid Traditional Name: 1-ethyl-4-[4-(3-methyl-4-nitro-phenoxy)butyl]piperazine; oxalic acid Formula: C19H29N3O7 MolecularWeight: 411.44946

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCCCOC2=CC(=C(C=C2)[N+](=O)[O-])C.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CCCCOC2=CC(=C(C=C2)[N+](=O)[O-])C.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H27N3O3.C2H2O4/c1-3-18-9-11-19(12-10-18)8-4-5-13-23-16-6-7-17(20(21)22)15(2)14-16;3-1(4)2(5)6/h6-7,14H,3-5,8-13H2,1-2H3;(H,3,4)(H,5,6)