2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[(3-nitrophenyl)methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-(3-nitrobenzyl)piperazino]acetic acid Formula: C13H17N3O4 MolecularWeight: 279.29178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C13H17N3O4/c17-13(18)10-15-6-4-14(5-7-15)9-11-2-1-3-12(8-11)16(19)20/h1-3,8H,4-7,9-10H2,(H,17,18)