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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanoate CAS Name: 6-(4-nitro-1,3-dioxo-2-isoindolyl)hexanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoate Traditional Name: 6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C22H19BrN2O7 MolecularWeight: 503.29946

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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)OCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN2O7/c23-15-10-8-14(9-11-15)18(26)13-32-19(27)7-2-1-3-12-24-21(28)16-5-4-6-17(25(30)31)20(16)22(24)29/h4-6,8-11H,1-3,7,12-13H2