2-[4-(1,2,2-tricyanoethenyl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(1,2,2-tricyanoethenyl)phenyl]ethanoic acid Openeye Name: 2-[4-(1,2,2-tricyanovinyl)phenyl]acetic acid CAS Name: 2-[4-(1,2,2-tricyanoethenyl)phenyl]acetic acid IUPAC Name: 2-[4-(1,2,2-tricyanoethenyl)phenyl]acetic acid Traditional Name: 2-[4-(1,2,2-tricyanovinyl)phenyl]acetic acid Formula: C13H7N3O2 MolecularWeight: 237.21358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)C(=C(C#N)C#N)C#N

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)C(=C(C#N)C#N)C#N

InChI

InChI=1S/C13H7N3O2/c14-6-11(7-15)12(8-16)10-3-1-9(2-4-10)5-13(17)18/h1-4H,5H2,(H,17,18)