2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]cyclopentane-1,3-dione

Systemtic Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]cyclopentane-1,3-dione Openeye Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]cyclopentane-1,3-dione CAS Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]cyclopentane-1,3-dione IUPAC Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]cyclopentane-1,3-dione Traditional Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]cyclopentane-1,3-quinone Formula: C15H12O5 MolecularWeight: 272.25278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C1=O)C(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CC(=O)C(C1=O)C(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H12O5/c16-10(15-11(17)4-5-12(15)18)3-1-9-2-6-13-14(7-9)20-8-19-13/h1-3,6-7,15H,4-5,8H2/b3-1+