3-propyl-1H-pyrrole-2,4-dicarboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC=C1C(=O)O)C(=O)O

Isomeric SMILES

CCCC1=C(NC=C1C(=O)O)C(=O)O

InChI

InChI=1S/C9H11NO4/c1-2-3-5-6(8(11)12)4-10-7(5)9(13)14/h4,10H,2-3H2,1H3,(H,11,12)(H,13,14)