N-(1,3-benzodioxol-4-ylmethyl)-3-ethynyl-aniline

Systemtic Name: N-(1,3-benzodioxol-4-ylmethyl)-3-ethynyl-aniline Openeye Name: N-(1,3-benzodioxol-4-ylmethyl)-3-ethynyl-aniline CAS Name: N-(1,3-benzodioxol-4-ylmethyl)-3-ethynylaniline IUPAC Name: N-(1,3-benzodioxol-4-ylmethyl)-3-ethynylaniline Traditional Name: 1,3-benzodioxol-4-ylmethyl-(3-ethynylphenyl)amine Formula: C16H13NO2 MolecularWeight: 251.27992

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NCC2=C3C(=CC=C2)OCO3

Isomeric SMILES

C#CC1=CC(=CC=C1)NCC2=C3C(=CC=C2)OCO3

InChI

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