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

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

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