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

Systemtic Name: methyl 5-(aminomethyl)-3-(3-cyano-4-fluoranyl-phenyl)-4H-1,2-oxazole-5-carboxylate hydrochloride Openeye Name: methyl 5-(aminomethyl)-3-(3-cyano-4-fluoro-phenyl)-4H-isoxazole-5-carboxylate hydrochloride CAS Name: 5-(aminomethyl)-3-(3-cyano-4-fluorophenyl)-4H-isoxazole-5-carboxylic acid methyl ester hydrochloride IUPAC Name: methyl 5-(aminomethyl)-3-(3-cyano-4-fluorophenyl)-4H-1,2-oxazole-5-carboxylate hydrochloride Traditional Name: 5-(aminomethyl)-3-(3-cyano-4-fluoro-phenyl)-2-isoxazoline-5-carboxylic acid methyl ester hydrochloride Formula: C13H13ClFN3O3 MolecularWeight: 313.712023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(=NO1)C2=CC(=C(C=C2)F)C#N)CN.Cl

Isomeric SMILES

COC(=O)C1(CC(=NO1)C2=CC(=C(C=C2)F)C#N)CN.Cl

InChI

InChI=1S/C13H12FN3O3.ClH/c1-19-12(18)13(7-16)5-11(17-20-13)8-2-3-10(14)9(4-8)6-15;/h2-4H,5,7,16H2,1H3;1H