4-[(E)-2-cyano-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: 4-[(E)-2-cyano-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: 4-[(E)-2-cyano-3-oxido-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-oxido-3-oxoprop-1-enyl]benzoate IUPAC Name: 4-[(E)-2-cyano-3-oxido-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-keto-3-oxido-prop-1-enyl]benzoate Formula: C11H5NO4-2 MolecularWeight: 215.1617

Click to see the large picture

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)/p-2/b9-5+