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

Systemtic Name: 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanedioic acid Openeye Name: 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)butanedioic acid CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)butanedioic acid IUPAC Name: 2-(4-nitro-1,3-dioxoisoindol-2-yl)butanedioic acid Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)succinic acid Formula: C12H8N2O8 MolecularWeight: 308.20052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N2O8/c15-8(16)4-7(12(19)20)13-10(17)5-2-1-3-6(14(21)22)9(5)11(13)18/h1-3,7H,4H2,(H,15,16)(H,19,20)