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

Systemtic Name: (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-2-bromanyl-5-ethoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(2-amino-2-oxo-ethoxy)-2-bromo-5-ethoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(2-amino-2-oxoethoxy)-2-bromo-5-ethoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(2-amino-2-oxoethoxy)-2-bromo-5-ethoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(2-amino-2-keto-ethoxy)-2-bromo-5-ethoxy-phenyl]acrylic acid Formula: C13H14BrNO5 MolecularWeight: 344.15796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C=CC(=O)O)Br)OCC(=O)N

Isomeric SMILES

CCOC1=C(C=C(C(=C1)/C=C/C(=O)O)Br)OCC(=O)N

InChI

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