4-[(E)-2-cyano-3-oxidanyl-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-cyano-3-oxidanyl-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-hydroxy-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-hydroxy-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-hydroxy-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-cyano-3-hydroxy-3-keto-prop-1-enyl]benzoic acid Formula: C11H7NO4 MolecularWeight: 217.17758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C(\C#N)/C(=O)O)C(=O)O

InChI

InChI=1S/C11H7NO4/c12-6-9(11(15)16)5-7-1-3-8(4-2-7)10(13)14/h1-5H,(H,13,14)(H,15,16)/b9-5+