2-azulen-5-yl-6-oxidanyl-azulene-1,3-dicarbonitrile

Systemtic Name: 2-azulen-5-yl-6-oxidanyl-azulene-1,3-dicarbonitrile Openeye Name: 2-azulen-5-yl-6-hydroxy-azulene-1,3-dicarbonitrile CAS Name: 2-(5-azulenyl)-6-hydroxyazulene-1,3-dicarbonitrile IUPAC Name: 2-azulen-5-yl-6-hydroxyazulene-1,3-dicarbonitrile Traditional Name: 2-azulen-5-yl-6-hydroxy-azulene-1,3-dicarbonitrile Formula: C22H12N2O MolecularWeight: 320.34348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC=CC(=CC2=C1)C3=C(C4=CC=C(C=CC4=C3C#N)O)C#N

Isomeric SMILES

C1=CC2=CC=CC(=CC2=C1)C3=C(C4=CC=C(C=CC4=C3C#N)O)C#N

InChI

InChI=1S/C22H12N2O/c23-12-20-18-9-7-17(25)8-10-19(18)21(13-24)22(20)16-6-2-4-14-3-1-5-15(14)11-16/h1-11,25H