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

Systemtic Name: 3-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(2-nitrophenyl)methyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(2-nitrobenzyl)piperazino]propionic acid Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCC(=O)O)CC2=CC=CC=C2[N+](=O)[O-]

InChI

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