[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-benzofuran-2-carboxylate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-benzofuran-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4/c1-15(20(24)23(13-7-12-22)17-9-3-2-4-10-17)26-21(25)19-14-16-8-5-6-11-18(16)27-19/h2-6,8-11,14-15H,7,13H2,1H3