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1-(1-adamantyl)-4-nitro-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]pyrazole-3-carboxamide
1-(1-adamantyl)-4-nitro-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]pyrazole-3-carboxamide
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Descriptors Computed from Structure
Canonical SMILES:
C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC(=CC(=C5)OC6=CC=CC(=C6)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]
Isomeric SMILES
C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC(=CC(=C5)OC6=CC=CC(=C6)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C27H24F3N5O6/c28-27(29,30)18-2-1-3-21(7-18)41-22-9-19(8-20(10-22)34(37)38)31-25(36)24-23(35(39)40)14-33(32-24)26-11-15-4-16(12-26)6-17(5-15)13-26/h1-3,7-10,14-17H,4-6,11-13H2,(H,31,36)
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