N-(1,3-benzodioxol-5-ylmethyl)-3-ethynyl-aniline

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-ethynyl-aniline Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-ethynyl-aniline CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-ethynylaniline IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-ethynylaniline Traditional Name: (3-ethynylphenyl)-piperonyl-amine Formula: C16H13NO2 MolecularWeight: 251.27992

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C#CC1=CC(=CC=C1)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H13NO2/c1-2-12-4-3-5-14(8-12)17-10-13-6-7-15-16(9-13)19-11-18-15/h1,3-9,17H,10-11H2