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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-nitro-butanoic acid Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-4-nitro-butanoic acid CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-nitrobutanoic acid IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-4-nitrobutanoic acid Traditional Name: 4-nitro-2-phthalimido-butyric acid Formula: C12H10N2O6 MolecularWeight: 278.2176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H10N2O6/c15-10-7-3-1-2-4-8(7)11(16)14(10)9(12(17)18)5-6-13(19)20/h1-4,9H,5-6H2,(H,17,18)