4-(1,1,3-tricyanoprop-1-en-2-yl)benzoic acid

Systemtic Name: 4-(1,1,3-tricyanoprop-1-en-2-yl)benzoic acid Openeye Name: 4-[2,2-dicyano-1-(cyanomethyl)vinyl]benzoic acid CAS Name: 4-(1,1,3-tricyanoprop-1-en-2-yl)benzoic acid IUPAC Name: 4-(1,1,3-tricyanoprop-1-en-2-yl)benzoic acid Traditional Name: 4-[2,2-dicyano-1-(cyanomethyl)vinyl]benzoic acid Formula: C13H7N3O2 MolecularWeight: 237.21358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=C(C#N)C#N)CC#N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=C(C#N)C#N)CC#N)C(=O)O

InChI

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