3-isocyanatobenzenecarbonitrile

Systemtic Name: 3-isocyanatobenzenecarbonitrile Openeye Name: 3-isocyanatobenzonitrile CAS Name: 3-isocyanatobenzonitrile IUPAC Name: 3-isocyanatobenzonitrile Traditional Name: 3-isocyanatobenzonitrile Formula: C8H4N2O MolecularWeight: 144.13016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H4N2O/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H