2-[2-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoate

Systemtic Name: 2-[2-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoate Openeye Name: 2-[2-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-oxo-prop-1-enyl]phenoxy]acetate CAS Name: 2-[2-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetate IUPAC Name: 2-[2-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetate Traditional Name: 2-[2-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-keto-prop-1-enyl]phenoxy]acetate Formula: C22H20NO4- MolecularWeight: 362.3985

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C(=CC2=CC=CC=C2OCC(=O)[O-])C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)/C(=C/C2=CC=CC=C2OCC(=O)[O-])/C#N

InChI

InChI=1S/C22H21NO4/c1-22(2,3)18-10-8-15(9-11-18)21(26)17(13-23)12-16-6-4-5-7-19(16)27-14-20(24)25/h4-12H,14H2,1-3H3,(H,24,25)/p-1/b17-12+