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

Systemtic Name: (E)-3-[5-bromanyl-2-[(2S)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]prop-2-enoate Openeye Name: (E)-3-[5-bromo-2-[(1S)-2-(dimethylamino)-1-methyl-2-oxo-ethoxy]phenyl]prop-2-enoate CAS Name: (E)-3-[5-bromo-2-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxyphenyl]-2-propenoate IUPAC Name: (E)-3-[5-bromo-2-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxyphenyl]prop-2-enoate Traditional Name: (E)-3-[5-bromo-2-[(1S)-2-(dimethylamino)-2-keto-1-methyl-ethoxy]phenyl]acrylate Formula: C14H15BrNO4- MolecularWeight: 341.1772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrNO4/c1-9(14(19)16(2)3)20-12-6-5-11(15)8-10(12)4-7-13(17)18/h4-9H,1-3H3,(H,17,18)/p-1/b7-4+/t9-/m0/s1