[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carboxylate CAS Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H13ClFN3O4 MolecularWeight: 377.754223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C17H13ClFN3O4/c1-8(21)10(6-20)13(23)7-25-17(24)14-9(2)26-22-16(14)15-11(18)4-3-5-12(15)19/h3-5,10,21H,7H2,1-2H3/t10-/m1/s1