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

Systemtic Name: 2-methoxy-4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]benzoic acid Openeye Name: 2-methoxy-4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid CAS Name: 2-methoxy-4-[3-(trifluoromethyl)-3-diazirinyl]benzoic acid IUPAC Name: 2-methoxy-4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid Traditional Name: 2-methoxy-4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid Formula: C10H7F3N2O3 MolecularWeight: 260.16939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7F3N2O3/c1-18-7-4-5(2-3-6(7)8(16)17)9(14-15-9)10(11,12)13/h2-4H,1H3,(H,16,17)