[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxylate CAS Name: 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate Traditional Name: 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H14ClN3O4 MolecularWeight: 347.75306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C16H14ClN3O4/c1-10-14(16(22)23-9-13(21)19-8-4-7-18)15(20-24-10)11-5-2-3-6-12(11)17/h2-3,5-6H,4,8-9H2,1H3,(H,19,21)