(phenylmethyl) 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate Openeye Name: benzyl 2-(5-bromo-1,3-dioxo-isoindolin-2-yl)-3-methyl-butanoate CAS Name: 2-(5-bromo-1,3-dioxo-2-isoindolyl)-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)-3-methylbutanoate Traditional Name: 2-(5-bromo-1,3-diketo-isoindolin-2-yl)-3-methyl-butyric acid benzyl ester Formula: C20H18BrNO4 MolecularWeight: 416.26522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C20H18BrNO4/c1-12(2)17(20(25)26-11-13-6-4-3-5-7-13)22-18(23)15-9-8-14(21)10-16(15)19(22)24/h3-10,12,17H,11H2,1-2H3