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

Systemtic Name: 5-bromanyl-2-[[2-(5-methyl-1,2-oxazol-3-yl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[[2-(5-methylisoxazol-3-yl)-1,3-dioxo-isoindoline-5-carbonyl]amino]benzoic acid CAS Name: 5-bromo-2-[[[2-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[2-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[1,3-diketo-2-(5-methylisoxazol-3-yl)isoindoline-5-carbonyl]amino]benzoic acid Formula: C20H12BrN3O6 MolecularWeight: 470.22978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O

Isomeric SMILES

CC1=CC(=NO1)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/C20H12BrN3O6/c1-9-6-16(23-30-9)24-18(26)12-4-2-10(7-13(12)19(24)27)17(25)22-15-5-3-11(21)8-14(15)20(28)29/h2-8H,1H3,(H,22,25)(H,28,29)