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

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-5-bromanyl-benzoate Openeye Name: 5-bromo-2-[3-(1,3-dioxoisoindolin-2-yl)propanoylamino]benzoate CAS Name: 5-bromo-2-[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]benzoate IUPAC Name: 5-bromo-2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate Traditional Name: 5-bromo-2-(3-phthalimidopropanoylamino)benzoate Formula: C18H12BrN2O5- MolecularWeight: 416.20228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC3=C(C=C(C=C3)Br)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC3=C(C=C(C=C3)Br)C(=O)[O-]

InChI

InChI=1S/C18H13BrN2O5/c19-10-5-6-14(13(9-10)18(25)26)20-15(22)7-8-21-16(23)11-3-1-2-4-12(11)17(21)24/h1-6,9H,7-8H2,(H,20,22)(H,25,26)/p-1