(E)-3-(3-acetamido-4-chloranyl-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(3-acetamido-4-chloranyl-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(3-acetamido-4-chloro-phenyl)prop-2-enoic acid CAS Name: (E)-3-(3-acetamido-4-chlorophenyl)-2-propenoic acid IUPAC Name: (E)-3-(3-acetamido-4-chlorophenyl)prop-2-enoic acid Traditional Name: (E)-3-(3-acetamido-4-chloro-phenyl)acrylic acid Formula: C11H10ClNO3 MolecularWeight: 239.655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C=CC(=O)O)Cl

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)/C=C/C(=O)O)Cl

InChI

InChI=1S/C11H10ClNO3/c1-7(14)13-10-6-8(2-4-9(10)12)3-5-11(15)16/h2-6H,1H3,(H,13,14)(H,15,16)/b5-3+