2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanedioic acid

Systemtic Name: 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanedioic acid Openeye Name: 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanedioic acid CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)propanedioic acid IUPAC Name: 2-(4-nitro-1,3-dioxoisoindol-2-yl)propanedioic acid Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)malonic acid Formula: C11H6N2O8 MolecularWeight: 294.17394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C(C(=O)O)C(=O)O

InChI

InChI=1S/C11H6N2O8/c14-8-4-2-1-3-5(13(20)21)6(4)9(15)12(8)7(10(16)17)11(18)19/h1-3,7H,(H,16,17)(H,18,19)