methyl (E)-3-bromanyl-2-(phenylmethoxycarbonylamino)but-2-enoate

Systemtic Name: methyl (E)-3-bromanyl-2-(phenylmethoxycarbonylamino)but-2-enoate Openeye Name: methyl (E)-2-(benzyloxycarbonylamino)-3-bromo-but-2-enoate CAS Name: (E)-3-bromo-2-(phenylmethoxycarbonylamino)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-3-bromo-2-(phenylmethoxycarbonylamino)but-2-enoate Traditional Name: (E)-2-(benzyloxycarbonylamino)-3-bromo-but-2-enoic acid methyl ester Formula: C13H14BrNO4 MolecularWeight: 328.15856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OC)NC(=O)OCC1=CC=CC=C1)Br

Isomeric SMILES

C/C(=C(/C(=O)OC)\NC(=O)OCC1=CC=CC=C1)/Br

InChI

InChI=1S/C13H14BrNO4/c1-9(14)11(12(16)18-2)15-13(17)19-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,15,17)/b11-9+