5-bromanyl-2-(2-oxidanylideneazepan-3-yl)oxy-benzoic acid

Systemtic Name: 5-bromanyl-2-(2-oxidanylideneazepan-3-yl)oxy-benzoic acid Openeye Name: 5-bromo-2-(2-oxoazepan-3-yl)oxy-benzoic acid CAS Name: 5-bromo-2-[(2-oxo-3-azepanyl)oxy]benzoic acid IUPAC Name: 5-bromo-2-(2-oxoazepan-3-yl)oxybenzoic acid Traditional Name: 5-bromo-2-(2-ketoazepan-3-yl)oxy-benzoic acid Formula: C13H14BrNO4 MolecularWeight: 328.15856

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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(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)