[6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridin-1-yl] cyclohexanesulfonate

Systemtic Name: [6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridin-1-yl] cyclohexanesulfonate Openeye Name: [6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridin-1-yl] cyclohexanesulfonate CAS Name: cyclohexanesulfonic acid [6-nitro-2-(trifluoromethyl)-1-imidazo[4,5-b]pyridinyl] ester IUPAC Name: [6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridin-1-yl] cyclohexanesulfonate Traditional Name: cyclohexanesulfonic acid [6-nitro-2-(trifluoromethyl)imidazo[4,5-b]pyridin-1-yl] ester Formula: C13H13F3N4O5S MolecularWeight: 394.32633

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)S(=O)(=O)ON2C3=CC(=CN=C3N=C2C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)S(=O)(=O)ON2C3=CC(=CN=C3N=C2C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H13F3N4O5S/c14-13(15,16)12-18-11-10(6-8(7-17-11)20(21)22)19(12)25-26(23,24)9-4-2-1-3-5-9/h6-7,9H,1-5H2