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

Systemtic Name: ethanedioic acid; 1-[2-(4-methyl-2-nitro-phenoxy)ethyl]piperazine Openeye Name: 1-[2-(4-methyl-2-nitro-phenoxy)ethyl]piperazine; oxalic acid CAS Name: 1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperazine; oxalic acid IUPAC Name: 1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperazine; oxalic acid Traditional Name: 1-[2-(4-methyl-2-nitro-phenoxy)ethyl]piperazine; oxalic acid Formula: C15H21N3O7 MolecularWeight: 355.34314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCN2CCNCC2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCN2CCNCC2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C13H19N3O3.C2H2O4/c1-11-2-3-13(12(10-11)16(17)18)19-9-8-15-6-4-14-5-7-15;3-1(4)2(5)6/h2-3,10,14H,4-9H2,1H3;(H,3,4)(H,5,6)