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

Systemtic Name: 2-[[1,3-bis(oxidanylidene)-2-(pyridin-3-ylmethyl)isoindol-5-yl]carbonylamino]-5-bromanyl-benzoic acid Openeye Name: 5-bromo-2-[[1,3-dioxo-2-(3-pyridylmethyl)isoindoline-5-carbonyl]amino]benzoic acid CAS Name: 5-bromo-2-[[[1,3-dioxo-2-(3-pyridinylmethyl)-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carbonyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[1,3-diketo-2-(3-pyridylmethyl)isoindoline-5-carbonyl]amino]benzoic acid Formula: C22H14BrN3O5 MolecularWeight: 480.26766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C22H14BrN3O5/c23-14-4-6-18(17(9-14)22(30)31)25-19(27)13-3-5-15-16(8-13)21(29)26(20(15)28)11-12-2-1-7-24-10-12/h1-10H,11H2,(H,25,27)(H,30,31)