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

Systemtic Name: 3-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(3-nitrophenyl)methyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(3-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)4-5-15-6-8-16(9-7-15)11-12-2-1-3-13(10-12)17(20)21/h1-3,10H,4-9,11H2,(H,18,19)