(2-cyano-1-ethoxy-3-methyl-1-oxidanylidene-pentan-2-yl) benzoate

Systemtic Name: (2-cyano-1-ethoxy-3-methyl-1-oxidanylidene-pentan-2-yl) benzoate Openeye Name: (1-cyano-1-ethoxycarbonyl-2-methyl-butyl) benzoate CAS Name: benzoic acid (2-cyano-1-ethoxy-3-methyl-1-oxopentan-2-yl) ester IUPAC Name: (2-cyano-1-ethoxy-3-methyl-1-oxopentan-2-yl) benzoate Traditional Name: benzoic acid (1-carbethoxy-1-cyano-2-methyl-butyl) ester Formula: C16H19NO4 MolecularWeight: 289.32636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO4/c1-4-12(3)16(11-17,15(19)20-5-2)21-14(18)13-9-7-6-8-10-13/h6-10,12H,4-5H2,1-3H3