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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-1,2-oxazole-5-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 3-methylisoxazole-5-carboxylate CAS Name: 3-methyl-5-isoxazolecarboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate Traditional Name: 3-methylisoxazole-5-carboxylic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C15H13N3O4 MolecularWeight: 299.28142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CC1=NOC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

InChI

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