3-[2,3,4-tris(oxidanyl)-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl]benzenecarbonitrile

Systemtic Name: 3-[2,3,4-tris(oxidanyl)-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl]benzenecarbonitrile Openeye Name: 3-(2,3,4-trihydroxy-5-oxo-cyclohepta-1,3,6-trien-1-yl)benzonitrile CAS Name: 3-(2,3,4-trihydroxy-5-oxo-1-cyclohepta-1,3,6-trienyl)benzonitrile IUPAC Name: 3-(2,3,4-trihydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)benzonitrile Traditional Name: 3-(2,3,4-trihydroxy-5-keto-cyclohepta-1,3,6-trien-1-yl)benzonitrile Formula: C14H9NO4 MolecularWeight: 255.22556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=C(C(=C(C(=O)C=C2)O)O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=C(C(=C(C(=O)C=C2)O)O)O)C#N

InChI

InChI=1S/C14H9NO4/c15-7-8-2-1-3-9(6-8)10-4-5-11(16)13(18)14(19)12(10)17/h1-6H,(H3,16,17,18,19)