2-[(5-carboxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl]propanedioic acid

Systemtic Name: 2-[(5-carboxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl]propanedioic acid Openeye Name: 2-[(5-carboxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl]propanedioic acid CAS Name: 2-[(5-carboxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl]propanedioic acid IUPAC Name: 2-[(5-carboxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl]propanedioic acid Traditional Name: 2-[(5-carboxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl]malonic acid Formula: C11H13NO6 MolecularWeight: 255.22402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CC(C(=O)O)C(=O)O)C)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1CC(C(=O)O)C(=O)O)C)C(=O)O

InChI

InChI=1S/C11H13NO6/c1-4-6(3-7(9(13)14)10(15)16)5(2)12-8(4)11(17)18/h7,12H,3H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)