4-(4-ethanoyl-2-methoxy-5-nitro-phenoxy)butanoic acid

Systemtic Name: 4-(4-ethanoyl-2-methoxy-5-nitro-phenoxy)butanoic acid Openeye Name: 4-(4-acetyl-2-methoxy-5-nitro-phenoxy)butanoic acid CAS Name: 4-(4-acetyl-2-methoxy-5-nitrophenoxy)butanoic acid IUPAC Name: 4-(4-acetyl-2-methoxy-5-nitrophenoxy)butanoic acid Traditional Name: 4-(4-acetyl-2-methoxy-5-nitro-phenoxy)butyric acid Formula: C13H15NO7 MolecularWeight: 297.2607

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)O)OC

InChI

InChI=1S/C13H15NO7/c1-8(15)9-6-11(20-2)12(7-10(9)14(18)19)21-5-3-4-13(16)17/h6-7H,3-5H2,1-2H3,(H,16,17)