methyl 2-[3-(4-carbamimidoyl-2-fluoranyl-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoate

Systemtic Name: methyl 2-[3-(4-carbamimidoyl-2-fluoranyl-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoate Openeye Name: methyl 2-[3-(4-carbamimidoyl-2-fluoro-phenyl)-4,5-dihydroisoxazol-5-yl]acetate CAS Name: 2-[3-(4-carbamimidoyl-2-fluorophenyl)-4,5-dihydroisoxazol-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(4-carbamimidoyl-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate Traditional Name: 2-[3-(4-amidino-2-fluoro-phenyl)-2-isoxazolin-5-yl]acetic acid methyl ester Formula: C13H14FN3O3 MolecularWeight: 279.266963

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CC(=NO1)C2=C(C=C(C=C2)C(=N)N)F

Isomeric SMILES

COC(=O)CC1CC(=NO1)C2=C(C=C(C=C2)C(=N)N)F

InChI

InChI=1S/C13H14FN3O3/c1-19-12(18)6-8-5-11(17-20-8)9-3-2-7(13(15)16)4-10(9)14/h2-4,8H,5-6H2,1H3,(H3,15,16)