isocyanatobenzene; methane

Systemtic Name: isocyanatobenzene; methane Openeye Name: isocyanatobenzene; methane CAS Name: isocyanatobenzene; methane IUPAC Name: isocyanatobenzene; methane Traditional Name: isocyanatobenzene; methane Formula: C22H19N3O3 MolecularWeight: 373.40456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C.C1=CC=C(C=C1)N=C=O.C1=CC=C(C=C1)N=C=O.C1=CC=C(C=C1)N=C=O

Isomeric SMILES

C.C1=CC=C(C=C1)N=C=O.C1=CC=C(C=C1)N=C=O.C1=CC=C(C=C1)N=C=O

InChI

InChI=1S/3C7H5NO.CH4/c3*9-6-8-7-4-2-1-3-5-7;/h3*1-5H;1H4