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

Systemtic Name: 2-(2-prop-2-ynoxyethoxy)-4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]benzoic acid Openeye Name: 2-(2-prop-2-ynoxyethoxy)-4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid CAS Name: 2-(2-prop-2-ynoxyethoxy)-4-[3-(trifluoromethyl)-3-diazirinyl]benzoic acid IUPAC Name: 2-(2-prop-2-ynoxyethoxy)-4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid Traditional Name: 2-(2-propargyloxyethoxy)-4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid Formula: C14H11F3N2O4 MolecularWeight: 328.24335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCOCCOC1=C(C=CC(=C1)C2(N=N2)C(F)(F)F)C(=O)O

Isomeric SMILES

C#CCOCCOC1=C(C=CC(=C1)C2(N=N2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C14H11F3N2O4/c1-2-5-22-6-7-23-11-8-9(3-4-10(11)12(20)21)13(18-19-13)14(15,16)17/h1,3-4,8H,5-7H2,(H,20,21)