(E)-3-[5-bromanyl-2-[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[5-bromanyl-2-[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]prop-2-enoate Openeye Name: (E)-3-[5-bromo-2-[(1S)-1-methyl-2-(methylamino)-2-oxo-ethoxy]phenyl]prop-2-enoate CAS Name: (E)-3-[5-bromo-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]-2-propenoate IUPAC Name: (E)-3-[5-bromo-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]prop-2-enoate Traditional Name: (E)-3-[5-bromo-2-[(1S)-2-keto-1-methyl-2-(methylamino)ethoxy]phenyl]acrylate Formula: C13H13BrNO4- MolecularWeight: 327.15062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)OC1=C(C=C(C=C1)Br)C=CC(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC)OC1=C(C=C(C=C1)Br)/C=C/C(=O)[O-]

InChI

InChI=1S/C13H14BrNO4/c1-8(13(18)15-2)19-11-5-4-10(14)7-9(11)3-6-12(16)17/h3-8H,1-2H3,(H,15,18)(H,16,17)/p-1/b6-3+/t8-/m0/s1