[[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl]-oxidanyl-methyl]phosphonic acid

Systemtic Name: [[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl]-oxidanyl-methyl]phosphonic acid Openeye Name: [[4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]phenyl]-hydroxy-methyl]phosphonic acid CAS Name: [[4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]phenyl]-hydroxymethyl]phosphonic acid IUPAC Name: [[4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]phenyl]-hydroxymethyl]phosphonic acid Traditional Name: [[4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]phenyl]-hydroxy-methyl]phosphonic acid Formula: C11H11N2O5P MolecularWeight: 282.189201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N2O5P/c12-6-9(10(13)14)5-7-1-3-8(4-2-7)11(15)19(16,17)18/h1-5,11,15H,(H2,13,14)(H2,16,17,18)/b9-5+