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

Systemtic Name: methyl 3-[2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(5-bromo-1,3-dioxo-isoindolin-2-yl)acetyl]amino]benzoate CAS Name: 3-[[2-(5-bromo-1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-(5-bromo-1,3-diketo-isoindolin-2-yl)acetyl]amino]benzoic acid methyl ester Formula: C18H13BrN2O5 MolecularWeight: 417.21022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C18H13BrN2O5/c1-26-18(25)10-3-2-4-12(7-10)20-15(22)9-21-16(23)13-6-5-11(19)8-14(13)17(21)24/h2-8H,9H2,1H3,(H,20,22)