4-[bis(2-oxidanylidenecyclohepta[b]furan-3-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[bis(2-oxidanylidenecyclohepta[b]furan-3-yl)methyl]benzenecarbonitrile Openeye Name: 4-[bis(2-oxocyclohepta[b]furan-3-yl)methyl]benzonitrile CAS Name: 4-[bis(2-oxo-3-cyclohepta[b]furanyl)methyl]benzonitrile IUPAC Name: 4-[bis(2-oxocyclohepta[b]furan-3-yl)methyl]benzonitrile Traditional Name: 4-[bis(2-ketocyclohepta[b]furan-3-yl)methyl]benzonitrile Formula: C26H15NO4 MolecularWeight: 405.4016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C(C(=O)O2)C(C3=CC=C(C=C3)C#N)C4=C5C=CC=CC=C5OC4=O)C=C1

Isomeric SMILES

C1=CC=C2C(=C(C(=O)O2)C(C3=CC=C(C=C3)C#N)C4=C5C=CC=CC=C5OC4=O)C=C1

InChI

InChI=1S/C26H15NO4/c27-15-16-11-13-17(14-12-16)22(23-18-7-3-1-5-9-20(18)30-25(23)28)24-19-8-4-2-6-10-21(19)31-26(24)29/h1-14,22H