(E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-2-bromanyl-5-methoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-2-bromanyl-5-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(2-amino-2-oxo-ethoxy)-2-bromo-5-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(2-amino-2-oxoethoxy)-2-bromo-5-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(2-amino-2-oxoethoxy)-2-bromo-5-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(2-amino-2-keto-ethoxy)-2-bromo-5-methoxy-phenyl]acrylic acid Formula: C12H12BrNO5 MolecularWeight: 330.13138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=CC(=O)O)Br)OCC(=O)N

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C/C(=O)O)Br)OCC(=O)N

InChI

InChI=1S/C12H12BrNO5/c1-18-9-4-7(2-3-12(16)17)8(13)5-10(9)19-6-11(14)15/h2-5H,6H2,1H3,(H2,14,15)(H,16,17)/b3-2+