3-[1-(3-nitrophenyl)butylamino]propanoic acid

Systemtic Name: 3-[1-(3-nitrophenyl)butylamino]propanoic acid Openeye Name: 3-[1-(3-nitrophenyl)butylamino]propanoic acid CAS Name: 3-[1-(3-nitrophenyl)butylamino]propanoic acid IUPAC Name: 3-[1-(3-nitrophenyl)butylamino]propanoic acid Traditional Name: 3-[1-(3-nitrophenyl)butylamino]propionic acid Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC(=CC=C1)[N+](=O)[O-])NCCC(=O)O

Isomeric SMILES

CCCC(C1=CC(=CC=C1)[N+](=O)[O-])NCCC(=O)O

InChI

InChI=1S/C13H18N2O4/c1-2-4-12(14-8-7-13(16)17)10-5-3-6-11(9-10)15(18)19/h3,5-6,9,12,14H,2,4,7-8H2,1H3,(H,16,17)