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

Systemtic Name: 2-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-(4-nitrophenyl)ethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-(4-nitrophenyl)ethyl]piperazino]acetic acid Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1CN(CCN1CCC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C14H19N3O4/c18-14(19)11-16-9-7-15(8-10-16)6-5-12-1-3-13(4-2-12)17(20)21/h1-4H,5-11H2,(H,18,19)