methyl 4-[[2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-(5-bromo-1,3-dioxo-isoindolin-2-yl)propanoylamino]methyl]benzoate CAS Name: 4-[[[2-(5-bromo-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)propanoylamino]methyl]benzoate Traditional Name: 4-[[2-(5-bromo-1,3-diketo-isoindolin-2-yl)propanoylamino]methyl]benzoic acid methyl ester Formula: C20H17BrN2O5 MolecularWeight: 445.26338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)N2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)N2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C20H17BrN2O5/c1-11(23-18(25)15-8-7-14(21)9-16(15)19(23)26)17(24)22-10-12-3-5-13(6-4-12)20(27)28-2/h3-9,11H,10H2,1-2H3,(H,22,24)