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

Systemtic Name: (E)-3-[5-bromanyl-2-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[5-bromo-2-[2-(dimethylamino)-1-methyl-2-oxo-ethoxy]phenyl]prop-2-enoic acid CAS Name: (E)-3-[5-bromo-2-[1-(dimethylamino)-1-oxopropan-2-yl]oxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[5-bromo-2-[1-(dimethylamino)-1-oxopropan-2-yl]oxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[5-bromo-2-[2-(dimethylamino)-2-keto-1-methyl-ethoxy]phenyl]acrylic acid Formula: C14H16BrNO4 MolecularWeight: 342.18514

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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

CC(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)/b7-4+