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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 1-benzofuran-2-carboxylate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C20H14BrNO5 MolecularWeight: 428.23286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrNO5/c21-13-6-7-14-15(11-13)19(24)22(18(14)23)8-3-9-26-20(25)17-10-12-4-1-2-5-16(12)27-17/h1-2,4-7,10-11H,3,8-9H2