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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)O)Br)OCCC(=O)N

InChI

InChI=1S/C13H14BrNO5/c1-19-10-7-8(2-3-12(17)18)6-9(14)13(10)20-5-4-11(15)16/h2-3,6-7H,4-5H2,1H3,(H2,15,16)(H,17,18)/b3-2+