2-[[1,3-bis(oxidanylidene)-2-(1-phenylethyl)isoindol-5-yl]carbonylamino]-5-bromanyl-benzoic acid

Systemtic Name: 2-[[1,3-bis(oxidanylidene)-2-(1-phenylethyl)isoindol-5-yl]carbonylamino]-5-bromanyl-benzoic acid Openeye Name: 5-bromo-2-[[1,3-dioxo-2-(1-phenylethyl)isoindoline-5-carbonyl]amino]benzoic acid CAS Name: 5-bromo-2-[[[1,3-dioxo-2-(1-phenylethyl)-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[1,3-dioxo-2-(1-phenylethyl)isoindole-5-carbonyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[1,3-diketo-2-(1-phenylethyl)isoindoline-5-carbonyl]amino]benzoic acid Formula: C24H17BrN2O5 MolecularWeight: 493.30618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C24H17BrN2O5/c1-13(14-5-3-2-4-6-14)27-22(29)17-9-7-15(11-18(17)23(27)30)21(28)26-20-10-8-16(25)12-19(20)24(31)32/h2-13H,1H3,(H,26,28)(H,31,32)