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

Systemtic Name: [2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate Openeye Name: [2-(4-chloro-2-fluoro-anilino)-2-oxo-ethyl] 5-amino-3-methyl-isoxazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isoxazolecarboxylic acid [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isoxazole-4-carboxylic acid [2-(4-chloro-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C13H11ClFN3O4 MolecularWeight: 327.695543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)F)N

Isomeric SMILES

CC1=NOC(=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)F)N

InChI

InChI=1S/C13H11ClFN3O4/c1-6-11(12(16)22-18-6)13(20)21-5-10(19)17-9-3-2-7(14)4-8(9)15/h2-4H,5,16H2,1H3,(H,17,19)