N-[1-(1-adamantyl)ethyl]-4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-benzamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-benzamide Openeye Name: N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)-5-methoxy-2-nitro-benzamide CAS Name: N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)-5-methoxy-2-nitrobenzamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)-5-methoxy-2-nitrobenzamide Traditional Name: N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)-5-methoxy-2-nitro-benzamide Formula: C21H26F2N2O5 MolecularWeight: 424.438346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=C(C=C4[N+](=O)[O-])OC(F)F)OC

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=C(C=C4[N+](=O)[O-])OC(F)F)OC

InChI

InChI=1S/C21H26F2N2O5/c1-11(21-8-12-3-13(9-21)5-14(4-12)10-21)24-19(26)15-6-17(29-2)18(30-20(22)23)7-16(15)25(27)28/h6-7,11-14,20H,3-5,8-10H2,1-2H3,(H,24,26)