[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 5-(2-chlorophenyl)furan-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 5-(2-chlorophenyl)furan-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 5-(2-chlorophenyl)furan-2-carboxylate CAS Name: 5-(2-chlorophenyl)-2-furancarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 5-(2-chlorophenyl)furan-2-carboxylate Traditional Name: 5-(2-chlorophenyl)furan-2-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C22H17ClN2O4 MolecularWeight: 408.83438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H17ClN2O4/c23-18-10-5-4-9-17(18)19-11-12-20(29-19)22(27)28-15-21(26)25(14-6-13-24)16-7-2-1-3-8-16/h1-5,7-12H,6,14-15H2