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

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbonyl)-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-(1,3-benzodioxole-5-carbonyl)-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-(1,3-benzodioxole-5-carbonyl)-1-methylpyrrole-2-carboxylic acid Traditional Name: 1-methyl-4-piperonyloyl-pyrrole-2-carboxylic acid Formula: C14H11NO5 MolecularWeight: 273.24084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)O)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1C=C(C=C1C(=O)O)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H11NO5/c1-15-6-9(4-10(15)14(17)18)13(16)8-2-3-11-12(5-8)20-7-19-11/h2-6H,7H2,1H3,(H,17,18)