(2,4,6-trimethylphenyl) N-diazo-N'-(trifluoromethylsulfonyl)carbamimidate

Systemtic Name: (2,4,6-trimethylphenyl) N-diazo-N'-(trifluoromethylsulfonyl)carbamimidate Openeye Name: 1-diazo-3-(trifluoromethylsulfonyl)-2-(2,4,6-trimethylphenyl)isourea CAS Name: N-diazo-N'-(trifluoromethylsulfonyl)carbamimidic acid (2,4,6-trimethylphenyl) ester IUPAC Name: (2,4,6-trimethylphenyl) N-diazo-N'-(trifluoromethylsulfonyl)carbamimidate Traditional Name: 1-diazo-2-mesityl-3-triflyl-isourea Formula: C11H11F3N4O3S MolecularWeight: 336.29025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OC(=NS(=O)(=O)C(F)(F)F)N=[N+]=[N-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)O/C(=N/S(=O)(=O)C(F)(F)F)/N=[N+]=[N-])C

InChI

InChI=1S/C11H11F3N4O3S/c1-6-4-7(2)9(8(3)5-6)21-10(16-18-15)17-22(19,20)11(12,13)14/h4-5H,1-3H3/b17-10+