3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 6-methoxy-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 6-methoxy-2-oxidanylidene-chromene-3-carboxylate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 6-methoxy-2-oxo-chromene-3-carboxylate CAS Name: 6-methoxy-2-oxo-1-benzopyran-3-carboxylic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl 6-methoxy-2-oxochromene-3-carboxylate Traditional Name: 2-keto-6-methoxy-chromene-3-carboxylic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C22H16BrNO7 MolecularWeight: 486.26894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OCCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OCCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C22H16BrNO7/c1-29-14-4-6-18-12(9-14)10-17(22(28)31-18)21(27)30-8-2-7-24-19(25)15-5-3-13(23)11-16(15)20(24)26/h3-6,9-11H,2,7-8H2,1H3