ethyl 3-isocyanobenzoate

Systemtic Name: ethyl 3-isocyanobenzoate Openeye Name: ethyl 3-isocyanobenzoate CAS Name: 3-isocyanobenzoic acid ethyl ester IUPAC Name: ethyl 3-isocyanobenzoate Traditional Name: 3-isocyanobenzoic acid ethyl ester Formula: C10H9NO2 MolecularWeight: 175.18396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO2/c1-3-13-10(12)8-5-4-6-9(7-8)11-2/h4-7H,3H2,1H3