ethanedioic acid; 1-[(3-nitrophenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-[(3-nitrophenyl)methyl]piperazine Openeye Name: 1-[(3-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(3-nitrophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(3-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(3-nitrobenzyl)piperazine; oxalic acid Formula: C13H17N3O6 MolecularWeight: 311.29058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=CC(=CC=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1)CC2=CC(=CC=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C11H15N3O2.C2H2O4/c15-14(16)11-3-1-2-10(8-11)9-13-6-4-12-5-7-13;3-1(4)2(5)6/h1-3,8,12H,4-7,9H2;(H,3,4)(H,5,6)