1-[7-methyl-5-[(E)-2-(methylamino)ethenyl]-6-oxidanyl-1,3-benzodioxol-4-yl]ethanone

Systemtic Name: 1-[7-methyl-5-[(E)-2-(methylamino)ethenyl]-6-oxidanyl-1,3-benzodioxol-4-yl]ethanone Openeye Name: 1-[6-hydroxy-7-methyl-5-[(E)-2-(methylamino)vinyl]-1,3-benzodioxol-4-yl]ethanone CAS Name: 1-[6-hydroxy-7-methyl-5-[(E)-2-(methylamino)ethenyl]-1,3-benzodioxol-4-yl]ethanone IUPAC Name: 1-[6-hydroxy-7-methyl-5-[(E)-2-(methylamino)ethenyl]-1,3-benzodioxol-4-yl]ethanone Traditional Name: 1-[6-hydroxy-7-methyl-5-[(E)-2-(methylamino)vinyl]-1,3-benzodioxol-4-yl]ethanone Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1OCO2)C(=O)C)C=CNC)O

Isomeric SMILES

CC1=C(C(=C(C2=C1OCO2)C(=O)C)/C=C/NC)O

InChI

InChI=1S/C13H15NO4/c1-7-11(16)9(4-5-14-3)10(8(2)15)13-12(7)17-6-18-13/h4-5,14,16H,6H2,1-3H3/b5-4+