(E)-1-(1,3-benzodioxol-5-yl)but-1-en-3-yn-2-amine

Systemtic Name: (E)-1-(1,3-benzodioxol-5-yl)but-1-en-3-yn-2-amine Openeye Name: (E)-1-(1,3-benzodioxol-5-yl)but-1-en-3-yn-2-amine CAS Name: (E)-1-(1,3-benzodioxol-5-yl)-2-but-1-en-3-ynamine IUPAC Name: (E)-1-(1,3-benzodioxol-5-yl)but-1-en-3-yn-2-amine Traditional Name: [(1E)-1-piperonylideneprop-2-ynyl]amine Formula: C11H9NO2 MolecularWeight: 187.19466

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(=CC1=CC2=C(C=C1)OCO2)N

Isomeric SMILES

C#C/C(=C\C1=CC2=C(C=C1)OCO2)/N

InChI

InChI=1S/C11H9NO2/c1-2-9(12)5-8-3-4-10-11(6-8)14-7-13-10/h1,3-6H,7,12H2/b9-5+