2-(3,4-dimethoxy-5-nitro-phenyl)carbonylpropanedioate

Systemtic Name: 2-(3,4-dimethoxy-5-nitro-phenyl)carbonylpropanedioate Openeye Name: 2-(3,4-dimethoxy-5-nitro-benzoyl)propanedioate CAS Name: 2-[(3,4-dimethoxy-5-nitrophenyl)-oxomethyl]propanedioate IUPAC Name: 2-(3,4-dimethoxy-5-nitrobenzoyl)propanedioate Traditional Name: 2-(3,4-dimethoxy-5-nitro-benzoyl)malonate Formula: C12H9NO9-2 MolecularWeight: 311.20116

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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)/p-2