propan-2-yl 2-(2-prop-2-ynoxyethoxy)-4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]benzoate

Systemtic Name: propan-2-yl 2-(2-prop-2-ynoxyethoxy)-4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]benzoate Openeye Name: isopropyl 2-(2-prop-2-ynoxyethoxy)-4-[3-(trifluoromethyl)diazirin-3-yl]benzoate CAS Name: 2-(2-prop-2-ynoxyethoxy)-4-[3-(trifluoromethyl)-3-diazirinyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(2-prop-2-ynoxyethoxy)-4-[3-(trifluoromethyl)diazirin-3-yl]benzoate Traditional Name: 2-(2-propargyloxyethoxy)-4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid isopropyl ester Formula: C17H17F3N2O4 MolecularWeight: 370.32309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17F3N2O4/c1-4-7-24-8-9-25-14-10-12(16(21-22-16)17(18,19)20)5-6-13(14)15(23)26-11(2)3/h1,5-6,10-11H,7-9H2,2-3H3