3-[2-(3-nitrophenoxy)ethanoylamino]butanoic acid

Systemtic Name: 3-[2-(3-nitrophenoxy)ethanoylamino]butanoic acid Openeye Name: 3-[[2-(3-nitrophenoxy)acetyl]amino]butanoic acid CAS Name: 3-[[2-(3-nitrophenoxy)-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-[[2-(3-nitrophenoxy)acetyl]amino]butanoic acid Traditional Name: 3-[[2-(3-nitrophenoxy)acetyl]amino]butyric acid Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)COC1=CC=CC(=C1)[N+](=O)[O-]

Isomeric SMILES

CC(CC(=O)O)NC(=O)COC1=CC=CC(=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O6/c1-8(5-12(16)17)13-11(15)7-20-10-4-2-3-9(6-10)14(18)19/h2-4,6,8H,5,7H2,1H3,(H,13,15)(H,16,17)