N-[3-[bis(fluoranyl)methoxy]-4-methoxy-phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-[3-[bis(fluoranyl)methoxy]-4-methoxy-phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-[3-(difluoromethoxy)-4-methoxy-phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-[3-(difluoromethoxy)-4-methoxy-phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C20H23F2N4O5+ MolecularWeight: 437.417226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC)OC(F)F)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC)OC(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H22F2N4O5/c1-24-7-9-25(10-8-24)15-5-3-13(11-16(15)26(28)29)19(27)23-14-4-6-17(30-2)18(12-14)31-20(21)22/h3-6,11-12,20H,7-10H2,1-2H3,(H,23,27)/p+1