[3-isocyanato-4-[(2-isocyanatophenyl)methyl]phenyl] cyanate

Systemtic Name: [3-isocyanato-4-[(2-isocyanatophenyl)methyl]phenyl] cyanate Openeye Name: [3-isocyanato-4-[(2-isocyanatophenyl)methyl]phenyl] cyanate CAS Name: cyanic acid [3-isocyanato-4-[(2-isocyanatophenyl)methyl]phenyl] ester IUPAC Name: [3-isocyanato-4-[(2-isocyanatophenyl)methyl]phenyl] cyanate Traditional Name: cyanic acid [3-isocyanato-4-(2-isocyanatobenzyl)phenyl] ester Formula: C16H9N3O3 MolecularWeight: 291.26096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=C(C=C(C=C2)OC#N)N=C=O)N=C=O

Isomeric SMILES

C1=CC=C(C(=C1)CC2=C(C=C(C=C2)OC#N)N=C=O)N=C=O

InChI

InChI=1S/C16H9N3O3/c17-9-22-14-6-5-13(16(8-14)19-11-21)7-12-3-1-2-4-15(12)18-10-20/h1-6,8H,7H2