2-[(3S)-2-oxidanylideneazepan-3-yl]oxybenzoate

Systemtic Name: 2-[(3S)-2-oxidanylideneazepan-3-yl]oxybenzoate Openeye Name: 2-[(3S)-2-oxoazepan-3-yl]oxybenzoate CAS Name: 2-[[(3S)-2-oxo-3-azepanyl]oxy]benzoate IUPAC Name: 2-[(3S)-2-oxoazepan-3-yl]oxybenzoate Traditional Name: 2-[(3S)-2-ketoazepan-3-yl]oxybenzoate Formula: C13H14NO4- MolecularWeight: 248.25456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C1CCNC(=O)[C@H](C1)OC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C13H15NO4/c15-12-11(7-3-4-8-14-12)18-10-6-2-1-5-9(10)13(16)17/h1-2,5-6,11H,3-4,7-8H2,(H,14,15)(H,16,17)/p-1/t11-/m0/s1