3-(2-oxidanylideneazepan-3-yl)oxybenzoic acid

Systemtic Name: 3-(2-oxidanylideneazepan-3-yl)oxybenzoic acid Openeye Name: 3-(2-oxoazepan-3-yl)oxybenzoic acid CAS Name: 3-[(2-oxo-3-azepanyl)oxy]benzoic acid IUPAC Name: 3-(2-oxoazepan-3-yl)oxybenzoic acid Traditional Name: 3-(2-ketoazepan-3-yl)oxybenzoic acid Formula: C13H15NO4 MolecularWeight: 249.2625

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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(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)