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

Systemtic Name: 2-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]propanedioic acid Openeye Name: 2-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]propanedioic acid CAS Name: 2-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]propanedioic acid IUPAC Name: 2-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]propanedioic acid Traditional Name: 2-[(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl]malonic acid Formula: C13H17NO6 MolecularWeight: 283.27718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)CC(C(=O)O)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)CC(C(=O)O)C(=O)O)C

InChI

InChI=1S/C13H17NO6/c1-4-20-13(19)10-6(2)8(7(3)14-10)5-9(11(15)16)12(17)18/h9,14H,4-5H2,1-3H3,(H,15,16)(H,17,18)