(2R)-1-(1,3-benzodioxol-5-ylcarbonyl)-3-methyl-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: (2R)-1-(1,3-benzodioxol-5-ylcarbonyl)-3-methyl-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: (2R)-1-(1,3-benzodioxole-5-carbonyl)-3-methyl-2,5-dihydropyrrole-2-carboxylic acid CAS Name: (2R)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-methyl-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: (2R)-1-(1,3-benzodioxole-5-carbonyl)-3-methyl-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: (2R)-3-methyl-1-piperonyloyl-3-pyrroline-2-carboxylic acid Formula: C14H13NO5 MolecularWeight: 275.25672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCN(C1C(=O)O)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CCN([C@H]1C(=O)O)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H13NO5/c1-8-4-5-15(12(8)14(17)18)13(16)9-2-3-10-11(6-9)20-7-19-10/h2-4,6,12H,5,7H2,1H3,(H,17,18)/t12-/m1/s1