[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 5-amino-3-methyl-isoxazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isoxazolecarboxylic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isoxazole-4-carboxylic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C15H14N4O4 MolecularWeight: 314.29606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C#N)N

Isomeric SMILES

CC1=NOC(=C1C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)C#N)N

InChI

InChI=1S/C15H14N4O4/c1-8-12(13(17)23-19-8)15(21)22-9(2)14(20)18-11-5-3-10(7-16)4-6-11/h3-6,9H,17H2,1-2H3,(H,18,20)/t9-/m1/s1