N-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]but-3-en-1-amine

Systemtic Name: N-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]but-3-en-1-amine Openeye Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]but-3-en-1-amine CAS Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-buten-1-amine IUPAC Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]but-3-en-1-amine Traditional Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-but-3-enyl-amine Formula: C12H14BrNO2 MolecularWeight: 284.14906

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCNCC1=CC2=C(C=C1Br)OCO2

Isomeric SMILES

C=CCCNCC1=CC2=C(C=C1Br)OCO2

InChI

InChI=1S/C12H14BrNO2/c1-2-3-4-14-7-9-5-11-12(6-10(9)13)16-8-15-11/h2,5-6,14H,1,3-4,7-8H2