methyl 2-[bromanyl-bis(fluoranyl)methyl]-2-(phenylmethoxycarbonylamino)pent-4-enoate

Systemtic Name: methyl 2-[bromanyl-bis(fluoranyl)methyl]-2-(phenylmethoxycarbonylamino)pent-4-enoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-2-[bromo(difluoro)methyl]pent-4-enoate CAS Name: 2-[bromo(difluoro)methyl]-2-(phenylmethoxycarbonylamino)-4-pentenoic acid methyl ester IUPAC Name: methyl 2-[bromo(difluoro)methyl]-2-(phenylmethoxycarbonylamino)pent-4-enoate Traditional Name: 2-(benzyloxycarbonylamino)-2-[bromo(difluoro)methyl]pent-4-enoic acid methyl ester Formula: C15H16BrF2NO4 MolecularWeight: 392.192646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=C)(C(F)(F)Br)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)C(CC=C)(C(F)(F)Br)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C15H16BrF2NO4/c1-3-9-14(12(20)22-2,15(16,17)18)19-13(21)23-10-11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3,(H,19,21)