3-(4,5-dimethoxy-2-nitro-phenyl)pentanedioic acid

Systemtic Name: 3-(4,5-dimethoxy-2-nitro-phenyl)pentanedioic acid Openeye Name: 3-(4,5-dimethoxy-2-nitro-phenyl)pentanedioic acid CAS Name: 3-(4,5-dimethoxy-2-nitrophenyl)pentanedioic acid IUPAC Name: 3-(4,5-dimethoxy-2-nitrophenyl)pentanedioic acid Traditional Name: 3-(4,5-dimethoxy-2-nitro-phenyl)glutaric acid Formula: C13H15NO8 MolecularWeight: 313.2601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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