2-[4-[(5-fluoranyl-2-nitro-phenyl)methyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(5-fluoranyl-2-nitro-phenyl)methyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[(5-fluoro-2-nitro-phenyl)methyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[(5-fluoro-2-nitrophenyl)methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[(5-fluoro-2-nitrophenyl)methyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-(5-fluoro-2-nitro-benzyl)piperazino]acetic acid Formula: C13H16FN3O4 MolecularWeight: 297.282243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16FN3O4/c14-11-1-2-12(17(20)21)10(7-11)8-15-3-5-16(6-4-15)9-13(18)19/h1-2,7H,3-6,8-9H2,(H,18,19)