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

Systemtic Name: 2-[[1,3-bis(oxidanylidene)-2-(2-phenylphenyl)isoindol-5-yl]carbonylamino]-5-bromanyl-benzoate Openeye Name: 5-bromo-2-[[1,3-dioxo-2-(2-phenylphenyl)isoindoline-5-carbonyl]amino]benzoate CAS Name: 5-bromo-2-[[[1,3-dioxo-2-(2-phenylphenyl)-5-isoindolyl]-oxomethyl]amino]benzoate IUPAC Name: 5-bromo-2-[[1,3-dioxo-2-(2-phenylphenyl)isoindole-5-carbonyl]amino]benzoate Traditional Name: 5-bromo-2-[[1,3-diketo-2-(2-phenylphenyl)isoindoline-5-carbonyl]amino]benzoate Formula: C28H16BrN2O5- MolecularWeight: 540.34104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)NC5=C(C=C(C=C5)Br)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)NC5=C(C=C(C=C5)Br)C(=O)[O-]

InChI

InChI=1S/C28H17BrN2O5/c29-18-11-13-23(22(15-18)28(35)36)30-25(32)17-10-12-20-21(14-17)27(34)31(26(20)33)24-9-5-4-8-19(24)16-6-2-1-3-7-16/h1-15H,(H,30,32)(H,35,36)/p-1