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

Systemtic Name: 5-bromanyl-2-[[2-(2-ethoxyphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[[2-(2-ethoxyphenyl)-1,3-dioxo-isoindoline-5-carbonyl]amino]benzoic acid CAS Name: 5-bromo-2-[[[2-(2-ethoxyphenyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid Traditional Name: 5-bromo-2-[(1,3-diketo-2-o-phenetyl-isoindoline-5-carbonyl)amino]benzoic acid Formula: C24H17BrN2O6 MolecularWeight: 509.30558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C24H17BrN2O6/c1-2-33-20-6-4-3-5-19(20)27-22(29)15-9-7-13(11-16(15)23(27)30)21(28)26-18-10-8-14(25)12-17(18)24(31)32/h3-12H,2H2,1H3,(H,26,28)(H,31,32)