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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)C

InChI

InChI=1S/C17H17N3O4/c1-3-14-16(11(2)24-20-14)17(22)23-10-15(21)19-13-6-4-12(5-7-13)8-9-18/h4-7H,3,8,10H2,1-2H3,(H,19,21)