(3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 2,6-bis(fluoranyl)benzoate

Systemtic Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 2,6-bis(fluoranyl)benzoate Openeye Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester IUPAC Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester Formula: C13H14F2N2O2 MolecularWeight: 268.259266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NOC(=O)C2=C(C=CC=C2F)F

Isomeric SMILES

C1CCC(=NCC1)NOC(=O)C2=C(C=CC=C2F)F

InChI

InChI=1S/C13H14F2N2O2/c14-9-5-4-6-10(15)12(9)13(18)19-17-11-7-2-1-3-8-16-11/h4-6H,1-3,7-8H2,(H,16,17)