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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-chloranyl-2-oxidanyl-benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-chloro-2-hydroxy-benzoate CAS Name: 4-chloro-2-hydroxybenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-chloro-2-hydroxybenzoate Traditional Name: 4-chloro-2-hydroxy-benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C15H18ClNO4 MolecularWeight: 311.76072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=C(C=C(C=C2)Cl)O

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=C(C=C(C=C2)Cl)O

InChI

InChI=1S/C15H18ClNO4/c16-11-5-6-12(13(18)9-11)15(20)21-10-14(19)17-7-3-1-2-4-8-17/h5-6,9,18H,1-4,7-8,10H2