3-[4-chloranyl-2-(hydroxymethyl)phenoxy]azepan-2-one

Systemtic Name: 3-[4-chloranyl-2-(hydroxymethyl)phenoxy]azepan-2-one Openeye Name: 3-[4-chloro-2-(hydroxymethyl)phenoxy]azepan-2-one CAS Name: 3-[4-chloro-2-(hydroxymethyl)phenoxy]-2-azepanone IUPAC Name: 3-[4-chloro-2-(hydroxymethyl)phenoxy]azepan-2-one Traditional Name: 3-(4-chloro-2-methylol-phenoxy)azepan-2-one Formula: C13H16ClNO3 MolecularWeight: 269.72404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2)Cl)CO

Isomeric SMILES

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2)Cl)CO

InChI

InChI=1S/C13H16ClNO3/c14-10-4-5-11(9(7-10)8-16)18-12-3-1-2-6-15-13(12)17/h4-5,7,12,16H,1-3,6,8H2,(H,15,17)