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

Systemtic Name: methyl 4-[[2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[2-(5-bromo-1,3-dioxo-isoindolin-2-yl)propanoyl-methyl-amino]methyl]benzoate CAS Name: 4-[[[2-(5-bromo-1,3-dioxo-2-isoindolyl)-1-oxopropyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)propanoyl-methylamino]methyl]benzoate Traditional Name: 4-[[2-(5-bromo-1,3-diketo-isoindolin-2-yl)propanoyl-methyl-amino]methyl]benzoic acid methyl ester Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=C(C=C1)C(=O)OC)N2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CC(C(=O)N(C)CC1=CC=C(C=C1)C(=O)OC)N2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C21H19BrN2O5/c1-12(24-19(26)16-9-8-15(22)10-17(16)20(24)27)18(25)23(2)11-13-4-6-14(7-5-13)21(28)29-3/h4-10,12H,11H2,1-3H3