4-(1,3-benzodioxol-5-ylcarbonyl)-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbonyl)-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(1,3-benzodioxole-5-carbonyl)-1H-pyrrole-2-carboxylic acid CAS Name: 4-[1,3-benzodioxol-5-yl(oxo)methyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(1,3-benzodioxole-5-carbonyl)-1H-pyrrole-2-carboxylic acid Traditional Name: 4-piperonyloyl-1H-pyrrole-2-carboxylic acid Formula: C13H9NO5 MolecularWeight: 259.21426

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)C3=CNC(=C3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)C3=CNC(=C3)C(=O)O

InChI

InChI=1S/C13H9NO5/c15-12(8-3-9(13(16)17)14-5-8)7-1-2-10-11(4-7)19-6-18-10/h1-5,14H,6H2,(H,16,17)