N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]ethanamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]-N-[(E)-piperonylideneamino]acetamide Formula: C17H12F3N3O5 MolecularWeight: 395.28949

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)CC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H12F3N3O5/c18-17(19,20)12-3-2-11(13(7-12)23(25)26)6-16(24)22-21-8-10-1-4-14-15(5-10)28-9-27-14/h1-5,7-8H,6,9H2,(H,22,24)/b21-8+