2-azanyl-1-(1,3-benzodioxol-5-yl)hexane-1,3-dione

Systemtic Name: 2-azanyl-1-(1,3-benzodioxol-5-yl)hexane-1,3-dione Openeye Name: 2-amino-1-(1,3-benzodioxol-5-yl)hexane-1,3-dione CAS Name: 2-amino-1-(1,3-benzodioxol-5-yl)hexane-1,3-dione IUPAC Name: 2-amino-1-(1,3-benzodioxol-5-yl)hexane-1,3-dione Traditional Name: 2-amino-1-(1,3-benzodioxol-5-yl)hexane-1,3-dione Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C(=O)C1=CC2=C(C=C1)OCO2)N

Isomeric SMILES

CCCC(=O)C(C(=O)C1=CC2=C(C=C1)OCO2)N

InChI

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