(2-cyano-1-ethoxy-4-methyl-1-oxidanylidene-pentan-2-yl) benzoate

Systemtic Name: (2-cyano-1-ethoxy-4-methyl-1-oxidanylidene-pentan-2-yl) benzoate Openeye Name: (1-cyano-1-ethoxycarbonyl-3-methyl-butyl) benzoate CAS Name: benzoic acid (2-cyano-1-ethoxy-4-methyl-1-oxopentan-2-yl) ester IUPAC Name: (2-cyano-1-ethoxy-4-methyl-1-oxopentan-2-yl) benzoate Traditional Name: benzoic acid (1-carbethoxy-1-cyano-3-methyl-butyl) ester Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO4/c1-4-20-15(19)16(11-17,10-12(2)3)21-14(18)13-8-6-5-7-9-13/h5-9,12H,4,10H2,1-3H3