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

Systemtic Name: 2-[2-(3-nitrophenoxy)ethanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[[2-(3-nitrophenoxy)acetyl]amino]butanoic acid CAS Name: 3-hydroxy-2-[[2-(3-nitrophenoxy)-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[[2-(3-nitrophenoxy)acetyl]amino]butanoic acid Traditional Name: 3-hydroxy-2-[[2-(3-nitrophenoxy)acetyl]amino]butyric acid Formula: C12H14N2O7 MolecularWeight: 298.24876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O7/c1-7(15)11(12(17)18)13-10(16)6-21-9-4-2-3-8(5-9)14(19)20/h2-5,7,11,15H,6H2,1H3,(H,13,16)(H,17,18)