2-[6-(2-azidoethyl)-1,3-benzodioxol-5-yl]-2-prop-2-enyl-cyclopentane-1,3-dione

Systemtic Name: 2-[6-(2-azidoethyl)-1,3-benzodioxol-5-yl]-2-prop-2-enyl-cyclopentane-1,3-dione Openeye Name: 2-allyl-2-[6-(2-azidoethyl)-1,3-benzodioxol-5-yl]cyclopentane-1,3-dione CAS Name: 2-[6-(2-azidoethyl)-1,3-benzodioxol-5-yl]-2-prop-2-enylcyclopentane-1,3-dione IUPAC Name: 2-[6-(2-azidoethyl)-1,3-benzodioxol-5-yl]-2-prop-2-enylcyclopentane-1,3-dione Traditional Name: 2-allyl-2-[6-(2-azidoethyl)-1,3-benzodioxol-5-yl]cyclopentane-1,3-quinone Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(C(=O)CCC1=O)C2=CC3=C(C=C2CCN=[N+]=[N-])OCO3

Isomeric SMILES

C=CCC1(C(=O)CCC1=O)C2=CC3=C(C=C2CCN=[N+]=[N-])OCO3

InChI

InChI=1S/C17H17N3O4/c1-2-6-17(15(21)3-4-16(17)22)12-9-14-13(23-10-24-14)8-11(12)5-7-19-20-18/h2,8-9H,1,3-7,10H2