N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(3,5-dinitrophenoxy)benzamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(3,5-dinitrophenoxy)benzamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-4-(3,5-dinitrophenoxy)benzamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(3,5-dinitrophenoxy)benzamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(3,5-dinitrophenoxy)benzamide Traditional Name: 4-(3,5-dinitrophenoxy)-N-[(E)-piperonylideneamino]benzamide Formula: C21H14N4O8 MolecularWeight: 450.35786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)OC4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)C3=CC=C(C=C3)OC4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O8/c26-21(23-22-11-13-1-6-19-20(7-13)32-12-31-19)14-2-4-17(5-3-14)33-18-9-15(24(27)28)8-16(10-18)25(29)30/h1-11H,12H2,(H,23,26)/b22-11+