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

Systemtic Name: 1-(1-adamantyl)-N-[4-[bis(fluoranyl)methoxy]-3-ethoxy-phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[4-(difluoromethoxy)-3-ethoxy-phenyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[4-(difluoromethoxy)-3-ethoxy-phenyl]-4-nitro-pyrazole-3-carboxamide Formula: C23H26F2N4O5 MolecularWeight: 476.473146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)OC(F)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)OC(F)F

InChI

InChI=1S/C23H26F2N4O5/c1-2-33-19-8-16(3-4-18(19)34-22(24)25)26-21(30)20-17(29(31)32)12-28(27-20)23-9-13-5-14(10-23)7-15(6-13)11-23/h3-4,8,12-15,22H,2,5-7,9-11H2,1H3,(H,26,30)