3-[5-ethoxycarbonyl-2-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-1H-pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[5-ethoxycarbonyl-2-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[5-ethoxycarbonyl-2-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[5-ethoxycarbonyl-2-[(E)-3-hydroxy-3-oxoprop-1-enyl]-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[5-ethoxycarbonyl-2-[(E)-3-hydroxy-3-oxoprop-1-enyl]-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[5-carbethoxy-2-[(E)-3-hydroxy-3-keto-prop-1-enyl]-1H-pyrrol-3-yl]propionic acid Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6/c1-2-20-13(19)10-7-8(3-5-11(15)16)9(14-10)4-6-12(17)18/h4,6-7,14H,2-3,5H2,1H3,(H,15,16)(H,17,18)/b6-4+