2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)butanedioic acid

Systemtic Name: 2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)butanedioic acid Openeye Name: 2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)butanedioic acid CAS Name: 2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)butanedioic acid IUPAC Name: 2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)butanedioic acid Traditional Name: 2-(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)succinic acid Formula: C13H17NO6 MolecularWeight: 283.27718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO6/c1-4-20-13(19)11-6(2)10(7(3)14-11)8(12(17)18)5-9(15)16/h8,14H,4-5H2,1-3H3,(H,15,16)(H,17,18)