4-nitrobenzoate; 2-oxidanylidenepentanedioate

Systemtic Name: 4-nitrobenzoate; 2-oxidanylidenepentanedioate Openeye Name: 4-nitrobenzoate; 2-oxopentanedioate CAS Name: 4-nitrobenzoate; 2-oxopentanedioate IUPAC Name: 4-nitrobenzoate; 2-oxopentanedioate Traditional Name: 2-ketoglutarate; 4-nitrobenzoate Formula: C12H8NO9-3 MolecularWeight: 310.19322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-].C(CC(=O)[O-])C(=O)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-].C(CC(=O)[O-])C(=O)C(=O)[O-]

InChI

InChI=1S/C7H5NO4.C5H6O5/c9-7(10)5-1-3-6(4-2-5)8(11)12;6-3(5(9)10)1-2-4(7)8/h1-4H,(H,9,10);1-2H2,(H,7,8)(H,9,10)/p-3