(4-bromophenyl) 6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate

Systemtic Name: (4-bromophenyl) 6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate Openeye Name: (4-bromophenyl) 6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanoate CAS Name: 6-(4-nitro-1,3-dioxo-2-isoindolyl)hexanoic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoate Traditional Name: 6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanoic acid (4-bromophenyl) ester Formula: C20H17BrN2O6 MolecularWeight: 461.26278

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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)OC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCCCCC(=O)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H17BrN2O6/c21-13-8-10-14(11-9-13)29-17(24)7-2-1-3-12-22-19(25)15-5-4-6-16(23(27)28)18(15)20(22)26/h4-6,8-11H,1-3,7,12H2