(E)-3-[4-(1-azanyl-1-oxidanylidene-propan-2-yl)oxy-3-bromanyl-5-methoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(1-azanyl-1-oxidanylidene-propan-2-yl)oxy-3-bromanyl-5-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(2-amino-1-methyl-2-oxo-ethoxy)-3-bromo-5-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(1-amino-1-oxopropan-2-yl)oxy-3-bromo-5-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(1-amino-1-oxopropan-2-yl)oxy-3-bromo-5-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(2-amino-2-keto-1-methyl-ethoxy)-3-bromo-5-methoxy-phenyl]acrylic acid Formula: C13H14BrNO5 MolecularWeight: 344.15796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC1=C(C=C(C=C1Br)C=CC(=O)O)OC

Isomeric SMILES

CC(C(=O)N)OC1=C(C=C(C=C1Br)/C=C/C(=O)O)OC

InChI

InChI=1S/C13H14BrNO5/c1-7(13(15)18)20-12-9(14)5-8(3-4-11(16)17)6-10(12)19-2/h3-7H,1-2H3,(H2,15,18)(H,16,17)/b4-3+