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

Systemtic Name: 2-(3,4-dimethoxy-5-nitro-phenyl)carbonylpropanedioic acid Openeye Name: 2-(3,4-dimethoxy-5-nitro-benzoyl)propanedioic acid CAS Name: 2-[(3,4-dimethoxy-5-nitrophenyl)-oxomethyl]propanedioic acid IUPAC Name: 2-(3,4-dimethoxy-5-nitrobenzoyl)propanedioic acid Traditional Name: 2-(3,4-dimethoxy-5-nitro-benzoyl)malonic acid Formula: C12H11NO9 MolecularWeight: 313.21704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)[N+](=O)[O-])C(=O)C(C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)[N+](=O)[O-])C(=O)C(C(=O)O)C(=O)O

InChI

InChI=1S/C12H11NO9/c1-21-7-4-5(3-6(13(19)20)10(7)22-2)9(14)8(11(15)16)12(17)18/h3-4,8H,1-2H3,(H,15,16)(H,17,18)