3,4-bis(ethoxycarbonyl)-1H-pyrrole-2,5-dicarboxylic acid

Systemtic Name: 3,4-bis(ethoxycarbonyl)-1H-pyrrole-2,5-dicarboxylic acid Openeye Name: 3,4-bis(ethoxycarbonyl)-1H-pyrrole-2,5-dicarboxylic acid CAS Name: 3,4-bis(ethoxycarbonyl)-1H-pyrrole-2,5-dicarboxylic acid IUPAC Name: 3,4-bis(ethoxycarbonyl)-1H-pyrrole-2,5-dicarboxylic acid Traditional Name: 3,4-dicarbethoxy-1H-pyrrole-2,5-dicarboxylic acid Formula: C12H13NO8 MolecularWeight: 299.23352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)OCC)C(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)OCC)C(=O)O)C(=O)O

InChI

InChI=1S/C12H13NO8/c1-3-20-11(18)5-6(12(19)21-4-2)8(10(16)17)13-7(5)9(14)15/h13H,3-4H2,1-2H3,(H,14,15)(H,16,17)