4,4-dicyanobutan-2-yl benzoate

Systemtic Name: 4,4-dicyanobutan-2-yl benzoate Openeye Name: (3,3-dicyano-1-methyl-propyl) benzoate CAS Name: benzoic acid 4,4-dicyanobutan-2-yl ester IUPAC Name: 4,4-dicyanobutan-2-yl benzoate Traditional Name: benzoic acid (3,3-dicyano-1-methyl-propyl) ester Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O2/c1-10(7-11(8-14)9-15)17-13(16)12-5-3-2-4-6-12/h2-6,10-11H,7H2,1H3