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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 2-oxidanylidenechromene-3-carboxylate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 2-oxochromene-3-carboxylate CAS Name: 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 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C21H14BrNO6 MolecularWeight: 456.24296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H14BrNO6/c22-13-6-7-14-15(11-13)19(25)23(18(14)24)8-3-9-28-20(26)16-10-12-4-1-2-5-17(12)29-21(16)27/h1-2,4-7,10-11H,3,8-9H2