[1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: [1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate Openeye Name: [2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 5-amino-3-methyl-isoxazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isoxazolecarboxylic acid [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-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 [2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C15H13ClN4O4 MolecularWeight: 348.74112

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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)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN4O4/c1-7-12(13(18)24-20-7)15(22)23-8(2)14(21)19-10-4-3-9(6-17)11(16)5-10/h3-5,8H,18H2,1-2H3,(H,19,21)