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

Systemtic Name: 4-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: 4-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-oxoprop-1-enyl]benzoate IUPAC Name: 4-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(4-tert-butylphenyl)-2-cyano-3-keto-prop-1-enyl]benzoate Formula: C21H18NO3- MolecularWeight: 332.37252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C(=CC2=CC=C(C=C2)C(=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO3/c1-21(2,3)18-10-8-15(9-11-18)19(23)17(13-22)12-14-4-6-16(7-5-14)20(24)25/h4-12H,1-3H3,(H,24,25)/p-1/b17-12+