2-[5-(5-bromanyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-[5-(5-bromanyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[5-(5-bromo-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[5-(5-bromo-1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[5-(5-bromo-1,3-benzoxazol-2-yl)-2-methoxyphenyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-[5-(5-bromo-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C23H13BrN2O6 MolecularWeight: 493.26312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Br)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Br)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)O

InChI

InChI=1S/C23H13BrN2O6/c1-31-19-6-3-11(20-25-16-10-13(24)4-7-18(16)32-20)9-17(19)26-21(27)14-5-2-12(23(29)30)8-15(14)22(26)28/h2-10H,1H3,(H,29,30)