[4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 1-benzofuran-2-carboxylate

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 1-benzofuran-2-carboxylate Openeye Name: [4-[3-(allylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [4-[2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [4-[3-(allylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H18N2O5 MolecularWeight: 402.39942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC=C)OC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC=C)OC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C23H18N2O5/c1-3-10-25-22(26)17(14-24)11-15-8-9-19(20(12-15)28-2)30-23(27)21-13-16-6-4-5-7-18(16)29-21/h3-9,11-13H,1,10H2,2H3,(H,25,26)