(E)-3-[3-chloranyl-4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-chloranyl-4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-chloro-4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-chloro-4-(1-imidazolylmethyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-chloro-4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-chloro-4-(imidazol-1-ylmethyl)phenyl]acrylic acid Formula: C13H11ClN2O2 MolecularWeight: 262.69164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)O)Cl)CN2C=CN=C2

Isomeric SMILES

C1=CC(=C(C=C1/C=C/C(=O)O)Cl)CN2C=CN=C2

InChI

InChI=1S/C13H11ClN2O2/c14-12-7-10(2-4-13(17)18)1-3-11(12)8-16-6-5-15-9-16/h1-7,9H,8H2,(H,17,18)/b4-2+