(4-cyanato-2-phenyl-phenyl) cyanate; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene

Systemtic Name: (4-cyanato-2-phenyl-phenyl) cyanate; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene Openeye Name: (4-cyanato-2-phenyl-phenyl) cyanate; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene CAS Name: cyanic acid (4-cyanato-2-phenylphenyl) ester; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene IUPAC Name: (4-cyanato-2-phenylphenyl) cyanate; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene Traditional Name: cyanic acid (4-cyanato-2-phenyl-phenyl) ester; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene Formula: C20H12N2O3 MolecularWeight: 328.32088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)OC#N)OC#N.C1=CC2=CC=C1O2

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)OC#N)OC#N.C1=CC2=CC=C1O2

InChI

InChI=1S/C14H8N2O2.C6H4O/c15-9-17-12-6-7-14(18-10-16)13(8-12)11-4-2-1-3-5-11;1-2-6-4-3-5(1)7-6/h1-8H;1-4H