[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: [3-(4-chlorophenyl)isoxazol-5-yl]methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [3-(4-chlorophenyl)-5-isoxazolyl]methyl ester IUPAC Name: [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [3-(4-chlorophenyl)isoxazol-5-yl]methyl ester Formula: C20H14ClN3O4 MolecularWeight: 395.79586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NOC(=C2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NOC(=C2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)Cl

InChI

InChI=1S/C20H14ClN3O4/c21-15-5-1-13(2-6-15)18-11-17(28-24-18)12-27-20(26)14-3-7-16(8-4-14)23-19(25)9-10-22/h1-8,11H,9,12H2,(H,23,25)