(E)-3-[2-(1H-imidazol-5-ylmethylamino)phenyl]prop-2-enoate

Systemtic Name: (E)-3-[2-(1H-imidazol-5-ylmethylamino)phenyl]prop-2-enoate Openeye Name: (E)-3-[2-(1H-imidazol-5-ylmethylamino)phenyl]prop-2-enoate CAS Name: (E)-3-[2-(1H-imidazol-5-ylmethylamino)phenyl]-2-propenoate IUPAC Name: (E)-3-[2-(1H-imidazol-5-ylmethylamino)phenyl]prop-2-enoate Traditional Name: (E)-3-[2-(1H-imidazol-5-ylmethylamino)phenyl]acrylate Formula: C13H12N3O2- MolecularWeight: 242.25328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC(=O)[O-])NCC2=CN=CN2

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C(=O)[O-])NCC2=CN=CN2

InChI

InChI=1S/C13H13N3O2/c17-13(18)6-5-10-3-1-2-4-12(10)15-8-11-7-14-9-16-11/h1-7,9,15H,8H2,(H,14,16)(H,17,18)/p-1/b6-5+