4-[(4,5-dimethoxy-2-nitro-phenyl)methoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4,5-dimethoxy-2-nitro-phenyl)methoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(4,5-dimethoxy-2-nitro-phenyl)methoxy]-4-oxo-butanoic acid CAS Name: 4-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-4-oxobutanoic acid IUPAC Name: 4-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-4-oxobutanoic acid Traditional Name: 4-(4,5-dimethoxy-2-nitro-benzyl)oxy-4-keto-butyric acid Formula: C13H15NO8 MolecularWeight: 313.2601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO8/c1-20-10-5-8(7-22-13(17)4-3-12(15)16)9(14(18)19)6-11(10)21-2/h5-6H,3-4,7H2,1-2H3,(H,15,16)