ethyl 9-cyano-2,3-dihydro-1-benzoxepine-4-carboxylate

Systemtic Name: ethyl 9-cyano-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: ethyl 9-cyano-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 9-cyano-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 9-cyano-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 9-cyano-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester Formula: C14H13NO3 MolecularWeight: 243.25792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=CC=CC(=C2OCC1)C#N

Isomeric SMILES

CCOC(=O)C1=CC2=CC=CC(=C2OCC1)C#N

InChI

InChI=1S/C14H13NO3/c1-2-17-14(16)11-6-7-18-13-10(8-11)4-3-5-12(13)9-15/h3-5,8H,2,6-7H2,1H3