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

Systemtic Name: 2-cyano-3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid Openeye Name: 2-cyano-3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid CAS Name: 2-cyano-3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid IUPAC Name: 2-cyano-3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid Traditional Name: 3-(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)-2-cyano-propionic acid Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4/c1-4-19-13(18)11-7(2)10(8(3)15-11)5-9(6-14)12(16)17/h9,15H,4-5H2,1-3H3,(H,16,17)