4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoic acid

Systemtic Name: 4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoic acid Openeye Name: 4-(5-nitro-1,3-dioxo-isoindolin-2-yl)butanoic acid CAS Name: 4-(5-nitro-1,3-dioxo-2-isoindolyl)butanoic acid IUPAC Name: 4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoic acid Traditional Name: 4-(1,3-diketo-5-nitro-isoindolin-2-yl)butyric acid Formula: C12H10N2O6 MolecularWeight: 278.2176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O6/c15-10(16)2-1-5-13-11(17)8-4-3-7(14(19)20)6-9(8)12(13)18/h3-4,6H,1-2,5H2,(H,15,16)