4-(4,5-dimethoxy-2-nitro-phenyl)butanoic acid

Systemtic Name: 4-(4,5-dimethoxy-2-nitro-phenyl)butanoic acid Openeye Name: 4-(4,5-dimethoxy-2-nitro-phenyl)butanoic acid CAS Name: 4-(4,5-dimethoxy-2-nitrophenyl)butanoic acid IUPAC Name: 4-(4,5-dimethoxy-2-nitrophenyl)butanoic acid Traditional Name: 4-(4,5-dimethoxy-2-nitro-phenyl)butyric acid Formula: C12H15NO6 MolecularWeight: 269.2506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCCC(=O)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCCC(=O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C12H15NO6/c1-18-10-6-8(4-3-5-12(14)15)9(13(16)17)7-11(10)19-2/h6-7H,3-5H2,1-2H3,(H,14,15)