methyl 5-(azidomethyl)-3-(3-cyano-4-fluoranyl-phenyl)-4H-1,2-oxazole-5-carboxylate

Systemtic Name: methyl 5-(azidomethyl)-3-(3-cyano-4-fluoranyl-phenyl)-4H-1,2-oxazole-5-carboxylate Openeye Name: methyl 5-(azidomethyl)-3-(3-cyano-4-fluoro-phenyl)-4H-isoxazole-5-carboxylate CAS Name: 5-(azidomethyl)-3-(3-cyano-4-fluorophenyl)-4H-isoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 5-(azidomethyl)-3-(3-cyano-4-fluorophenyl)-4H-1,2-oxazole-5-carboxylate Traditional Name: 5-(azidomethyl)-3-(3-cyano-4-fluoro-phenyl)-2-isoxazoline-5-carboxylic acid methyl ester Formula: C13H10FN5O3 MolecularWeight: 303.248603

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(=NO1)C2=CC(=C(C=C2)F)C#N)CN=[N+]=[N-]

Isomeric SMILES

COC(=O)C1(CC(=NO1)C2=CC(=C(C=C2)F)C#N)CN=[N+]=[N-]

InChI

InChI=1S/C13H10FN5O3/c1-21-12(20)13(7-17-19-16)5-11(18-22-13)8-2-3-10(14)9(4-8)6-15/h2-4H,5,7H2,1H3