[4-(1,3-benzodioxol-5-ylmethylamino)-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethylamino)-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethylamino)-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethylamino)-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethylamino)-3-nitrophenyl]-phenylmethanone Traditional Name: [3-nitro-4-(piperonylamino)phenyl]-phenyl-methanone Formula: C21H16N2O5 MolecularWeight: 376.36214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O5/c24-21(15-4-2-1-3-5-15)16-7-8-17(18(11-16)23(25)26)22-12-14-6-9-19-20(10-14)28-13-27-19/h1-11,22H,12-13H2