5-bromanyl-2-[[2-(4-ethoxycarbonylphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[2-(4-ethoxycarbonylphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[[2-(4-ethoxycarbonylphenyl)-1,3-dioxo-isoindoline-5-carbonyl]amino]benzoic acid CAS Name: 5-bromo-2-[[[2-(4-ethoxycarbonylphenyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[2-(4-ethoxycarbonylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[2-(4-carbethoxyphenyl)-1,3-diketo-isoindoline-5-carbonyl]amino]benzoic acid Formula: C25H17BrN2O7 MolecularWeight: 537.31568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=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

CCOC(=O)C1=CC=C(C=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/C25H17BrN2O7/c1-2-35-25(34)13-3-7-16(8-4-13)28-22(30)17-9-5-14(11-18(17)23(28)31)21(29)27-20-10-6-15(26)12-19(20)24(32)33/h3-12H,2H2,1H3,(H,27,29)(H,32,33)