2-chloranyl-4-[(E)-3-imidazol-1-ylprop-1-enyl]benzoic acid

Systemtic Name: 2-chloranyl-4-[(E)-3-imidazol-1-ylprop-1-enyl]benzoic acid Openeye Name: 2-chloro-4-[(E)-3-imidazol-1-ylprop-1-enyl]benzoic acid CAS Name: 2-chloro-4-[(E)-3-(1-imidazolyl)prop-1-enyl]benzoic acid IUPAC Name: 2-chloro-4-[(E)-3-imidazol-1-ylprop-1-enyl]benzoic acid Traditional Name: 2-chloro-4-[(E)-3-imidazol-1-ylprop-1-enyl]benzoic acid Formula: C13H11ClN2O2 MolecularWeight: 262.69164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CCN2C=CN=C2)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN2O2/c14-12-8-10(3-4-11(12)13(17)18)2-1-6-16-7-5-15-9-16/h1-5,7-9H,6H2,(H,17,18)/b2-1+