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

Systemtic Name: 5-bromanyl-2-[[2-ethyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[(2-ethyl-1,3-dioxo-isoindoline-5-carbonyl)amino]benzoic acid CAS Name: 5-bromo-2-[[(2-ethyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid Traditional Name: 5-bromo-2-[(2-ethyl-1,3-diketo-isoindoline-5-carbonyl)amino]benzoic acid Formula: C18H13BrN2O5 MolecularWeight: 417.21022

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O

Isomeric SMILES

CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C18H13BrN2O5/c1-2-21-16(23)11-5-3-9(7-12(11)17(21)24)15(22)20-14-6-4-10(19)8-13(14)18(25)26/h3-8H,2H2,1H3,(H,20,22)(H,25,26)