5-bromanyl-2-[(3S)-2-oxidanylideneazepan-3-yl]oxy-benzoate

Systemtic Name: 5-bromanyl-2-[(3S)-2-oxidanylideneazepan-3-yl]oxy-benzoate Openeye Name: 5-bromo-2-[(3S)-2-oxoazepan-3-yl]oxy-benzoate CAS Name: 5-bromo-2-[[(3S)-2-oxo-3-azepanyl]oxy]benzoate IUPAC Name: 5-bromo-2-[(3S)-2-oxoazepan-3-yl]oxybenzoate Traditional Name: 5-bromo-2-[(3S)-2-ketoazepan-3-yl]oxy-benzoate Formula: C13H13BrNO4- MolecularWeight: 327.15062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrNO4/c14-8-4-5-10(9(7-8)13(17)18)19-11-3-1-2-6-15-12(11)16/h4-5,7,11H,1-3,6H2,(H,15,16)(H,17,18)/p-1/t11-/m0/s1