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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C1CCNC(=O)[C@H](C1)OC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C13H15NO4/c15-12-11(6-1-2-7-14-12)18-10-5-3-4-9(8-10)13(16)17/h3-5,8,11H,1-2,6-7H2,(H,14,15)(H,16,17)/p-1/t11-/m0/s1