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

Systemtic Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 2,2-bis(chloranyl)propanoate Openeye Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 2,2-dichloropropanoate CAS Name: 2,2-dichloropropanoic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester IUPAC Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 2,2-dichloropropanoate Traditional Name: 2,2-dichloropropionic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester Formula: C9H14Cl2N2O2 MolecularWeight: 253.12566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)ONC1=NCCCCC1)(Cl)Cl

Isomeric SMILES

CC(C(=O)ONC1=NCCCCC1)(Cl)Cl

InChI

InChI=1S/C9H14Cl2N2O2/c1-9(10,11)8(14)15-13-7-5-3-2-4-6-12-7/h2-6H2,1H3,(H,12,13)