(E)-2-acetamido-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-acetamido-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)acrylic acid Formula: C12H12BrNO5 MolecularWeight: 330.13138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC(=C(C(=C1)Br)O)OC)C(=O)O

Isomeric SMILES

CC(=O)N/C(=C/C1=CC(=C(C(=C1)Br)O)OC)/C(=O)O

InChI

InChI=1S/C12H12BrNO5/c1-6(15)14-9(12(17)18)4-7-3-8(13)11(16)10(5-7)19-2/h3-5,16H,1-2H3,(H,14,15)(H,17,18)/b9-4+