ethyl 4-isocyano-3,5-dimethyl-benzoate

Systemtic Name: ethyl 4-isocyano-3,5-dimethyl-benzoate Openeye Name: ethyl 4-isocyano-3,5-dimethyl-benzoate CAS Name: 4-isocyano-3,5-dimethylbenzoic acid ethyl ester IUPAC Name: ethyl 4-isocyano-3,5-dimethylbenzoate Traditional Name: 4-isocyano-3,5-dimethyl-benzoic acid ethyl ester Formula: C12H13NO2 MolecularWeight: 203.23712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)C)[N+]#[C-])C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)C)[N+]#[C-])C

InChI

InChI=1S/C12H13NO2/c1-5-15-12(14)10-6-8(2)11(13-4)9(3)7-10/h6-7H,5H2,1-3H3