azepin-1-yl benzoate

Systemtic Name: azepin-1-yl benzoate Openeye Name: azepin-1-yl benzoate CAS Name: benzoic acid 1-azepinyl ester IUPAC Name: azepin-1-yl benzoate Traditional Name: benzoic acid azepin-1-yl ester Formula: C13H11NO2 MolecularWeight: 213.23194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=CN(C=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=CN(C=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H11NO2/c15-13(12-8-4-3-5-9-12)16-14-10-6-1-2-7-11-14/h1-11H