1-butan-2-yl-4-[(2-nitrophenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-butan-2-yl-4-[(2-nitrophenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-[(2-nitrophenyl)methyl]-4-sec-butyl-piperazine; oxalic acid CAS Name: 1-butan-2-yl-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-butan-2-yl-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(2-nitrobenzyl)-4-sec-butyl-piperazine; oxalic acid Formula: C17H25N3O6 MolecularWeight: 367.3969

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCN(CC1)CC2=CC=CC=C2[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)N1CCN(CC1)CC2=CC=CC=C2[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C15H23N3O2.C2H2O4/c1-3-13(2)17-10-8-16(9-11-17)12-14-6-4-5-7-15(14)18(19)20;3-1(4)2(5)6/h4-7,13H,3,8-12H2,1-2H3;(H,3,4)(H,5,6)