(E)-3-(1,3-benzodioxol-5-yl)-4-(dimethylamino)but-3-en-2-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-4-(dimethylamino)but-3-en-2-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-4-(dimethylamino)but-3-en-2-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-4-(dimethylamino)-3-buten-2-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-4-(dimethylamino)but-3-en-2-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-4-(dimethylamino)but-3-en-2-one Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CN(C)C)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(=O)/C(=C/N(C)C)/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H15NO3/c1-9(15)11(7-14(2)3)10-4-5-12-13(6-10)17-8-16-12/h4-7H,8H2,1-3H3/b11-7-