6-[(E)-4-(methylamino)but-1-enyl]-1,3-benzodioxol-4-amine

Systemtic Name: 6-[(E)-4-(methylamino)but-1-enyl]-1,3-benzodioxol-4-amine Openeye Name: 6-[(E)-4-(methylamino)but-1-enyl]-1,3-benzodioxol-4-amine CAS Name: 6-[(E)-4-(methylamino)but-1-enyl]-1,3-benzodioxol-4-amine IUPAC Name: 6-[(E)-4-(methylamino)but-1-enyl]-1,3-benzodioxol-4-amine Traditional Name: [(E)-4-(7-amino-1,3-benzodioxol-5-yl)but-3-enyl]-methyl-amine Formula: C12H16N2O2 MolecularWeight: 220.26764

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC=CC1=CC(=C2C(=C1)OCO2)N

Isomeric SMILES

CNCC/C=C/C1=CC(=C2C(=C1)OCO2)N

InChI

InChI=1S/C12H16N2O2/c1-14-5-3-2-4-9-6-10(13)12-11(7-9)15-8-16-12/h2,4,6-7,14H,3,5,8,13H2,1H3/b4-2+