7-ethoxy-2-oxidanyl-4-oxidanylidene-chromene-3-carbonitrile hydrate

Systemtic Name: 7-ethoxy-2-oxidanyl-4-oxidanylidene-chromene-3-carbonitrile hydrate Openeye Name: 7-ethoxy-2-hydroxy-4-oxo-chromene-3-carbonitrile hydrate CAS Name: 7-ethoxy-2-hydroxy-4-oxo-1-benzopyran-3-carbonitrile hydrate IUPAC Name: 7-ethoxy-2-hydroxy-4-oxochromene-3-carbonitrile hydrate Traditional Name: 7-ethoxy-2-hydroxy-4-keto-chromene-3-carbonitrile hydrate Formula: C12H11NO5 MolecularWeight: 249.21944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(=O)C(=C(O2)O)C#N.O

Isomeric SMILES

CCOC1=CC2=C(C=C1)C(=O)C(=C(O2)O)C#N.O

InChI

InChI=1S/C12H9NO4.H2O/c1-2-16-7-3-4-8-10(5-7)17-12(15)9(6-13)11(8)14;/h3-5,15H,2H2,1H3;1H2