4-[(E)-2-cyano-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-5-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[(E)-2-cyano-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-5-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[(E)-2-cyano-3-hydroxy-3-oxo-prop-1-enyl]-5-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(E)-2-cyano-3-hydroxy-3-oxoprop-1-enyl]-5-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[(E)-2-cyano-3-hydroxy-3-oxoprop-1-enyl]-5-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[(E)-2-cyano-3-hydroxy-3-keto-prop-1-enyl]-5-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid Formula: C12H12N2O4 MolecularWeight: 248.23468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)O)C)C=C(C#N)C(=O)O

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)O)C)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C12H12N2O4/c1-3-9-8(4-7(5-13)11(15)16)6(2)10(14-9)12(17)18/h4,14H,3H2,1-2H3,(H,15,16)(H,17,18)/b7-4+