N-(1,3-benzodioxol-5-yl)-3-[4-(3,5-dinitrophenoxy)phenyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[4-(3,5-dinitrophenoxy)phenyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[4-(3,5-dinitrophenoxy)phenyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[4-(3,5-dinitrophenoxy)phenyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[4-(3,5-dinitrophenoxy)phenyl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[4-(3,5-dinitrophenoxy)phenyl]propionamide Formula: C22H17N3O8 MolecularWeight: 451.38568

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CCC3=CC=C(C=C3)OC4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CCC3=CC=C(C=C3)OC4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O8/c26-22(23-15-4-7-20-21(9-15)32-13-31-20)8-3-14-1-5-18(6-2-14)33-19-11-16(24(27)28)10-17(12-19)25(29)30/h1-2,4-7,9-12H,3,8,13H2,(H,23,26)