[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(5-bromo-1,3-dioxo-2-isoindolyl)propanoic acid [4-(2-oxo-1-pyrrolidinyl)phenyl] ester IUPAC Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propionic acid [4-(2-ketopyrrolidino)phenyl] ester Formula: C21H17BrN2O5 MolecularWeight: 457.27408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)OC(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)OC(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H17BrN2O5/c22-13-3-8-16-17(12-13)21(28)24(20(16)27)11-9-19(26)29-15-6-4-14(5-7-15)23-10-1-2-18(23)25/h3-8,12H,1-2,9-11H2