6-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoic acid

Systemtic Name: 6-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoic acid Openeye Name: 6-(5-nitro-1,3-dioxo-isoindolin-2-yl)hexanoic acid CAS Name: 6-(5-nitro-1,3-dioxo-2-isoindolyl)hexanoic acid IUPAC Name: 6-(5-nitro-1,3-dioxoisoindol-2-yl)hexanoic acid Traditional Name: 6-(1,3-diketo-5-nitro-isoindolin-2-yl)hexanoic acid Formula: C14H14N2O6 MolecularWeight: 306.27076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O6/c17-12(18)4-2-1-3-7-15-13(19)10-6-5-9(16(21)22)8-11(10)14(15)20/h5-6,8H,1-4,7H2,(H,17,18)