1-(1-adamantyl)-N-[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[4-(difluoromethoxy)-2-methyl-phenyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[4-(difluoromethoxy)-2-methylphenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[4-(difluoromethoxy)-2-methylphenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[4-(difluoromethoxy)-2-methyl-phenyl]-4-nitro-pyrazole-3-carboxamide Formula: C22H24F2N4O4 MolecularWeight: 446.447166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(F)F)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=CC(=C1)OC(F)F)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H24F2N4O4/c1-12-4-16(32-21(23)24)2-3-17(12)25-20(29)19-18(28(30)31)11-27(26-19)22-8-13-5-14(9-22)7-15(6-13)10-22/h2-4,11,13-15,21H,5-10H2,1H3,(H,25,29)