2-[3,5-dimethyl-4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-1H-pyrrol-2-yl]propanoic acid

Systemtic Name: 2-[3,5-dimethyl-4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-1H-pyrrol-2-yl]propanoic acid Openeye Name: 2-[4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-3,5-dimethyl-1H-pyrrol-2-yl]propanoic acid CAS Name: 2-[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]-3,5-dimethyl-1H-pyrrol-2-yl]propanoic acid IUPAC Name: 2-[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]-3,5-dimethyl-1H-pyrrol-2-yl]propanoic acid Traditional Name: 2-[4-[(E)-3-hydroxy-3-keto-prop-1-enyl]-3,5-dimethyl-1H-pyrrol-2-yl]propionic acid Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C=CC(=O)O)C)C(C)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1/C=C/C(=O)O)C)C(C)C(=O)O

InChI

InChI=1S/C12H15NO4/c1-6-9(4-5-10(14)15)8(3)13-11(6)7(2)12(16)17/h4-5,7,13H,1-3H3,(H,14,15)(H,16,17)/b5-4+