[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate

Systemtic Name: [1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: [2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid [1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromophenyl)-1-oxopropan-2-yl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid [2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H16BrNO5 MolecularWeight: 442.25944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Br)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C

InChI

InChI=1S/C21H16BrNO5/c1-3-10-23-19(25)16-9-6-14(11-17(16)20(23)26)21(27)28-12(2)18(24)13-4-7-15(22)8-5-13/h3-9,11-12H,1,10H2,2H3