3,5-bis(chloranyl)-2-(2-oxidanylideneazepan-3-yl)oxy-benzoic acid

Systemtic Name: 3,5-bis(chloranyl)-2-(2-oxidanylideneazepan-3-yl)oxy-benzoic acid Openeye Name: 3,5-dichloro-2-(2-oxoazepan-3-yl)oxy-benzoic acid CAS Name: 3,5-dichloro-2-[(2-oxo-3-azepanyl)oxy]benzoic acid IUPAC Name: 3,5-dichloro-2-(2-oxoazepan-3-yl)oxybenzoic acid Traditional Name: 3,5-dichloro-2-(2-ketoazepan-3-yl)oxy-benzoic acid Formula: C13H13Cl2NO4 MolecularWeight: 318.15262

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2C(=O)O)Cl)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2C(=O)O)Cl)Cl

InChI

InChI=1S/C13H13Cl2NO4/c14-7-5-8(13(18)19)11(9(15)6-7)20-10-3-1-2-4-16-12(10)17/h5-6,10H,1-4H2,(H,16,17)(H,18,19)