[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C15H17BrClNO3 MolecularWeight: 374.65738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrClNO3/c16-11-5-6-13(17)12(9-11)15(20)21-10-14(19)18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10H2