[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-(2-chlorophenyl)furan-2-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-(2-chlorophenyl)furan-2-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 5-(2-chlorophenyl)furan-2-carboxylate CAS Name: 5-(2-chlorophenyl)-2-furancarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 5-(2-chlorophenyl)furan-2-carboxylate Traditional Name: 5-(2-chlorophenyl)furan-2-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H13ClN2O4 MolecularWeight: 332.73842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)OCC(=O)NCCC#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)OCC(=O)NCCC#N)Cl

InChI

InChI=1S/C16H13ClN2O4/c17-12-5-2-1-4-11(12)13-6-7-14(23-13)16(21)22-10-15(20)19-9-3-8-18/h1-2,4-7H,3,9-10H2,(H,19,20)