methyl 10-[2-methoxy-4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]-10-oxidanylidene-decanoate

Systemtic Name: methyl 10-[2-methoxy-4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]-10-oxidanylidene-decanoate Openeye Name: methyl 10-[2-methoxy-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]-10-oxo-decanoate CAS Name: 10-[2-methoxy-4-[3-(trifluoromethyl)-3-diazirinyl]phenyl]-10-oxodecanoic acid methyl ester IUPAC Name: methyl 10-[2-methoxy-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]-10-oxodecanoate Traditional Name: 10-keto-10-[2-methoxy-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]capric acid methyl ester Formula: C20H25F3N2O4 MolecularWeight: 414.41871

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25F3N2O4/c1-28-17-13-14(19(24-25-19)20(21,22)23)11-12-15(17)16(26)9-7-5-3-4-6-8-10-18(27)29-2/h11-13H,3-10H2,1-2H3