[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-azanyl-3,5-bis(chloranyl)benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-azanyl-3,5-bis(chloranyl)benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-amino-3,5-dichloro-benzoate CAS Name: 2-amino-3,5-dichlorobenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate Traditional Name: 2-amino-3,5-dichloro-benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C15H18Cl2N2O3 MolecularWeight: 345.22102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=CC(=C2N)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=CC(=C2N)Cl)Cl

InChI

InChI=1S/C15H18Cl2N2O3/c16-10-7-11(14(18)12(17)8-10)15(21)22-9-13(20)19-5-3-1-2-4-6-19/h7-8H,1-6,9,18H2