2-isocyano-2-(2-methyl-3-phenoxy-phenyl)ethanenitrile

Systemtic Name: 2-isocyano-2-(2-methyl-3-phenoxy-phenyl)ethanenitrile Openeye Name: 2-isocyano-2-(2-methyl-3-phenoxy-phenyl)acetonitrile CAS Name: 2-isocyano-2-(2-methyl-3-phenoxyphenyl)acetonitrile IUPAC Name: 2-isocyano-2-(2-methyl-3-phenoxyphenyl)acetonitrile Traditional Name: 2-isocyano-2-(2-methyl-3-phenoxy-phenyl)acetonitrile Formula: C16H12N2O MolecularWeight: 248.27928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1OC2=CC=CC=C2)C(C#N)[N+]#[C-]

Isomeric SMILES

CC1=C(C=CC=C1OC2=CC=CC=C2)C(C#N)[N+]#[C-]

InChI

InChI=1S/C16H12N2O/c1-12-14(15(11-17)18-2)9-6-10-16(12)19-13-7-4-3-5-8-13/h3-10,15H,1H3