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

Systemtic Name: 1-(1-adamantyl)-N-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[4-(difluoromethoxy)-3-methoxy-phenyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[4-(difluoromethoxy)-3-methoxy-phenyl]-4-nitro-pyrazole-3-carboxamide Formula: C22H24F2N4O5 MolecularWeight: 462.446566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)OC(F)F

InChI

InChI=1S/C22H24F2N4O5/c1-32-18-7-15(2-3-17(18)33-21(23)24)25-20(29)19-16(28(30)31)11-27(26-19)22-8-12-4-13(9-22)6-14(5-12)10-22/h2-3,7,11-14,21H,4-6,8-10H2,1H3,(H,25,29)