[(E)-2-cyano-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-prop-1-enyl] 2-(phenoxymethyl)benzoate

Systemtic Name: [(E)-2-cyano-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-prop-1-enyl] 2-(phenoxymethyl)benzoate Openeye Name: [(E)-3-tert-butoxy-2-cyano-3-oxo-prop-1-enyl] 2-(phenoxymethyl)benzoate CAS Name: 2-(phenoxymethyl)benzoic acid [(E)-2-cyano-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl] ester IUPAC Name: [(E)-2-cyano-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl] 2-(phenoxymethyl)benzoate Traditional Name: 2-(phenoxymethyl)benzoic acid [(E)-3-tert-butoxy-2-cyano-3-keto-prop-1-enyl] ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=COC(=O)C1=CC=CC=C1COC2=CC=CC=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)/C(=C/OC(=O)C1=CC=CC=C1COC2=CC=CC=C2)/C#N

InChI

InChI=1S/C22H21NO5/c1-22(2,3)28-20(24)17(13-23)15-27-21(25)19-12-8-7-9-16(19)14-26-18-10-5-4-6-11-18/h4-12,15H,14H2,1-3H3/b17-15+