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

Systemtic Name: (E)-3-[2-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]oxy-5-bromanyl-phenyl]prop-2-enoate Openeye Name: (E)-3-[2-[(1S)-2-amino-1-methyl-2-oxo-ethoxy]-5-bromo-phenyl]prop-2-enoate CAS Name: (E)-3-[2-[(2S)-1-amino-1-oxopropan-2-yl]oxy-5-bromophenyl]-2-propenoate IUPAC Name: (E)-3-[2-[(2S)-1-amino-1-oxopropan-2-yl]oxy-5-bromophenyl]prop-2-enoate Traditional Name: (E)-3-[2-[(1S)-2-amino-2-keto-1-methyl-ethoxy]-5-bromo-phenyl]acrylate Formula: C12H11BrNO4- MolecularWeight: 313.12404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrNO4/c1-7(12(14)17)18-10-4-3-9(13)6-8(10)2-5-11(15)16/h2-7H,1H3,(H2,14,17)(H,15,16)/p-1/b5-2+/t7-/m0/s1