3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid

Systemtic Name: 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid Openeye Name: 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid CAS Name: 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid IUPAC Name: 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid Traditional Name: 3-ethyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid Formula: C9H11NO4 MolecularWeight: 197.18794

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)C(=O)O)C(=O)O

Isomeric SMILES

CCC1=C(NC(=C1C)C(=O)O)C(=O)O

InChI

InChI=1S/C9H11NO4/c1-3-5-4(2)6(8(11)12)10-7(5)9(13)14/h10H,3H2,1-2H3,(H,11,12)(H,13,14)