4-(1,3-benzodioxol-5-ylmethylamino)-N-[3,5-bis(fluoranyl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-[3,5-bis(fluoranyl)phenyl]-3-nitro-benzamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(3,5-difluorophenyl)-3-nitro-benzamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(3,5-difluorophenyl)-3-nitrobenzamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(3,5-difluorophenyl)-3-nitrobenzamide Traditional Name: N-(3,5-difluorophenyl)-3-nitro-4-(piperonylamino)benzamide Formula: C21H15F2N3O5 MolecularWeight: 427.357706

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C=C(C=C3)C(=O)NC4=CC(=CC(=C4)F)F)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C=C(C=C3)C(=O)NC4=CC(=CC(=C4)F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H15F2N3O5/c22-14-7-15(23)9-16(8-14)25-21(27)13-2-3-17(18(6-13)26(28)29)24-10-12-1-4-19-20(5-12)31-11-30-19/h1-9,24H,10-11H2,(H,25,27)