4-oxidanyl-5-oxidanylidene-cyclohepta-1,3,6-triene-1-carbonitrile

Systemtic Name: 4-oxidanyl-5-oxidanylidene-cyclohepta-1,3,6-triene-1-carbonitrile Openeye Name: 4-hydroxy-5-oxo-cyclohepta-1,3,6-triene-1-carbonitrile CAS Name: 4-hydroxy-5-oxo-1-cyclohepta-1,3,6-trienecarbonitrile IUPAC Name: 4-hydroxy-5-oxocyclohepta-1,3,6-triene-1-carbonitrile Traditional Name: 4-hydroxy-5-keto-cyclohepta-1,3,6-triene-1-carbonitrile Formula: C8H5NO2 MolecularWeight: 147.1308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H5NO2/c9-5-6-1-3-7(10)8(11)4-2-6/h1-4H,(H,10,11)