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

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-azanyl-3,5-bis(chloranyl)benzoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 2-amino-3,5-dichloro-benzoate CAS Name: 2-amino-3,5-dichlorobenzoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate Traditional Name: 2-amino-3,5-dichloro-benzoic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C16H20Cl2N2O3 MolecularWeight: 359.2476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)C2=CC(=CC(=C2N)Cl)Cl

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)C2=CC(=CC(=C2N)Cl)Cl

InChI

InChI=1S/C16H20Cl2N2O3/c17-11-8-12(15(19)13(18)9-11)16(22)23-10-14(21)20-6-4-2-1-3-5-7-20/h8-9H,1-7,10,19H2