[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 4-chloranyl-2-oxidanyl-benzoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 4-chloranyl-2-oxidanyl-benzoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 4-chloro-2-hydroxy-benzoate CAS Name: 4-chloro-2-hydroxybenzoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 4-chloro-2-hydroxybenzoate Traditional Name: 4-chloro-2-hydroxy-benzoic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C16H20ClNO4 MolecularWeight: 325.7873

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)C2=C(C=C(C=C2)Cl)O

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)C2=C(C=C(C=C2)Cl)O

InChI

InChI=1S/C16H20ClNO4/c17-12-6-7-13(14(19)10-12)16(21)22-11-15(20)18-8-4-2-1-3-5-9-18/h6-7,10,19H,1-5,8-9,11H2