6-(prop-2-enylcarbamoylamino)-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 6-(prop-2-enylcarbamoylamino)-1,3-benzodioxole-5-carboxylic acid Openeye Name: 6-(allylcarbamoylamino)-1,3-benzodioxole-5-carboxylic acid CAS Name: 6-[[oxo-(prop-2-enylamino)methyl]amino]-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 6-(prop-2-enylcarbamoylamino)-1,3-benzodioxole-5-carboxylic acid Traditional Name: 6-(allylcarbamoylamino)-piperonylic acid Formula: C12H12N2O5 MolecularWeight: 264.23408

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC1=CC2=C(C=C1C(=O)O)OCO2

Isomeric SMILES

C=CCNC(=O)NC1=CC2=C(C=C1C(=O)O)OCO2

InChI

InChI=1S/C12H12N2O5/c1-2-3-13-12(17)14-8-5-10-9(18-6-19-10)4-7(8)11(15)16/h2,4-5H,1,3,6H2,(H,15,16)(H2,13,14,17)