1-[6-(2-phenylethynyl)-1,3-benzodioxol-5-yl]-N-(phenylmethyl)methanimine oxide

Systemtic Name: 1-[6-(2-phenylethynyl)-1,3-benzodioxol-5-yl]-N-(phenylmethyl)methanimine oxide Openeye Name: N-benzyl-1-[6-(2-phenylethynyl)-1,3-benzodioxol-5-yl]methanimine oxide CAS Name: 1-[6-(2-phenylethynyl)-1,3-benzodioxol-5-yl]-N-(phenylmethyl)methanimine oxide IUPAC Name: N-benzyl-1-[6-(2-phenylethynyl)-1,3-benzodioxol-5-yl]methanimine oxide Traditional Name: N-benzyl-1-[6-(2-phenylethynyl)-1,3-benzodioxol-5-yl]methanimine oxide Formula: C23H17NO3 MolecularWeight: 355.38598

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=[N+](CC3=CC=CC=C3)[O-])C#CC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=[N+](/CC3=CC=CC=C3)\[O-])C#CC4=CC=CC=C4

InChI

InChI=1S/C23H17NO3/c25-24(15-19-9-5-2-6-10-19)16-21-14-23-22(26-17-27-23)13-20(21)12-11-18-7-3-1-4-8-18/h1-10,13-14,16H,15,17H2/b24-16-