N-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-3-ethynyl-aniline

Systemtic Name: N-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-3-ethynyl-aniline Openeye Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-ethynyl-aniline CAS Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-ethynylaniline IUPAC Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-ethynylaniline Traditional Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-(3-ethynylphenyl)amine Formula: C16H12BrNO2 MolecularWeight: 330.17598

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

C#CC1=CC(=CC=C1)NCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C16H12BrNO2/c1-2-11-4-3-5-13(6-11)18-9-12-7-15-16(8-14(12)17)20-10-19-15/h1,3-8,18H,9-10H2