[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 3,5-dimethylisoxazole-4-carboxylate CAS Name: 3,5-dimethyl-4-isoxazolecarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate Traditional Name: 3,5-dimethylisoxazole-4-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4/c1-12-16(13(2)24-19-12)17(22)23-11-15(21)20(10-6-9-18)14-7-4-3-5-8-14/h3-5,7-8H,6,10-11H2,1-2H3