3-(2,3-dimethoxy-6-nitro-phenyl)-2-oxidanylidene-propanoic acid

Systemtic Name: 3-(2,3-dimethoxy-6-nitro-phenyl)-2-oxidanylidene-propanoic acid Openeye Name: 3-(2,3-dimethoxy-6-nitro-phenyl)-2-oxo-propanoic acid CAS Name: 3-(2,3-dimethoxy-6-nitrophenyl)-2-oxopropanoic acid IUPAC Name: 3-(2,3-dimethoxy-6-nitrophenyl)-2-oxopropanoic acid Traditional Name: 3-(2,3-dimethoxy-6-nitro-phenyl)-2-keto-propionic acid Formula: C11H11NO7 MolecularWeight: 269.20754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO7/c1-18-9-4-3-7(12(16)17)6(10(9)19-2)5-8(13)11(14)15/h3-4H,5H2,1-2H3,(H,14,15)