butane; 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid

Systemtic Name: butane; 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid Openeye Name: butane; 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid CAS Name: butane; 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid IUPAC Name: butane; 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid; n-butane Formula: C12H19NO4 MolecularWeight: 241.28356

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.CC1=C(NC(=C1C(=O)O)C)C(=O)O

Isomeric SMILES

CCCC.CC1=C(NC(=C1C(=O)O)C)C(=O)O

InChI

InChI=1S/C8H9NO4.C4H10/c1-3-5(7(10)11)4(2)9-6(3)8(12)13;1-3-4-2/h9H,1-2H3,(H,10,11)(H,12,13);3-4H2,1-2H3