(3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 2,2-bis(chloranyl)ethanoate

Systemtic Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 2,2-bis(chloranyl)ethanoate Openeye Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 2,2-dichloroacetate CAS Name: 2,2-dichloroacetic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester IUPAC Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 2,2-dichloroacetate Traditional Name: 2,2-dichloroacetic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester Formula: C8H12Cl2N2O2 MolecularWeight: 239.09908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NOC(=O)C(Cl)Cl

Isomeric SMILES

C1CCC(=NCC1)NOC(=O)C(Cl)Cl

InChI

InChI=1S/C8H12Cl2N2O2/c9-7(10)8(13)14-12-6-4-2-1-3-5-11-6/h7H,1-5H2,(H,11,12)