2-azanyl-1-(1,3-benzodioxol-4-yl)pentane-1,3-dione

Systemtic Name: 2-azanyl-1-(1,3-benzodioxol-4-yl)pentane-1,3-dione Openeye Name: 2-amino-1-(1,3-benzodioxol-4-yl)pentane-1,3-dione CAS Name: 2-amino-1-(1,3-benzodioxol-4-yl)pentane-1,3-dione IUPAC Name: 2-amino-1-(1,3-benzodioxol-4-yl)pentane-1,3-dione Traditional Name: 2-amino-1-(1,3-benzodioxol-4-yl)pentane-1,3-dione Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(=O)C1=C2C(=CC=C1)OCO2)N

Isomeric SMILES

CCC(=O)C(C(=O)C1=C2C(=CC=C1)OCO2)N

InChI

InChI=1S/C12H13NO4/c1-2-8(14)10(13)11(15)7-4-3-5-9-12(7)17-6-16-9/h3-5,10H,2,6,13H2,1H3