N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C19H18F2N4O5 MolecularWeight: 420.366826

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18F2N4O5/c1-23-6-8-24(9-7-23)14-4-2-12(10-15(14)25(27)28)18(26)22-13-3-5-16-17(11-13)30-19(20,21)29-16/h2-5,10-11H,6-9H2,1H3,(H,22,26)