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

Systemtic Name: methyl 2-[3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-2-methyl-propanoate Openeye Name: methyl 2-[3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propanoylamino]-2-methyl-propanoate CAS Name: 2-[[3-(5-bromo-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoylamino]-2-methylpropanoate Traditional Name: 2-[3-(5-bromo-1,3-diketo-isoindolin-2-yl)propanoylamino]-2-methyl-propionic acid methyl ester Formula: C16H17BrN2O5 MolecularWeight: 397.22058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)CCN1C(=O)C2=C(C1=O)C=C(C=C2)Br

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)CCN1C(=O)C2=C(C1=O)C=C(C=C2)Br

InChI

InChI=1S/C16H17BrN2O5/c1-16(2,15(23)24-3)18-12(20)6-7-19-13(21)10-5-4-9(17)8-11(10)14(19)22/h4-5,8H,6-7H2,1-3H3,(H,18,20)