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1-(1-adamantyl)-N-[2-[bis(fluoranyl)methoxy]phenyl]-4-nitro-pyrazole-3-carboxamide
1-(1-adamantyl)-N-[2-[bis(fluoranyl)methoxy]phenyl]-4-nitro-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=C5OC(F)F)[N+](=O)[O-]
Isomeric SMILES
C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC=CC=C5OC(F)F)[N+](=O)[O-]
InChI
InChI=1S/C21H22F2N4O4/c22-20(23)31-17-4-2-1-3-15(17)24-19(28)18-16(27(29)30)11-26(25-18)21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,11-14,20H,5-10H2,(H,24,28)
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