3-[2-methoxy-4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]propanoic acid

Systemtic Name: 3-[2-methoxy-4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]propanoic acid Openeye Name: 3-[2-methoxy-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propanoic acid CAS Name: 3-[2-methoxy-4-[3-(trifluoromethyl)-3-diazirinyl]phenyl]propanoic acid IUPAC Name: 3-[2-methoxy-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propanoic acid Traditional Name: 3-[2-methoxy-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propionic acid Formula: C12H11F3N2O3 MolecularWeight: 288.22255

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2(N=N2)C(F)(F)F)CCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2(N=N2)C(F)(F)F)CCC(=O)O

InChI

InChI=1S/C12H11F3N2O3/c1-20-9-6-8(11(16-17-11)12(13,14)15)4-2-7(9)3-5-10(18)19/h2,4,6H,3,5H2,1H3,(H,18,19)