(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C16H15N3O4/c1-10-14(11(2)23-19-10)9-22-16(21)12-3-5-13(6-4-12)18-15(20)7-8-17/h3-6H,7,9H2,1-2H3,(H,18,20)