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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C15H13N3O4 MolecularWeight: 299.28142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O4/c1-10-8-13(18-22-10)9-21-15(20)11-2-4-12(5-3-11)17-14(19)6-7-16/h2-5,8H,6,9H2,1H3,(H,17,19)