methyl 4-[(E)-2-cyano-3-oxidanylidene-3-(4-propylphenyl)prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-2-cyano-3-oxidanylidene-3-(4-propylphenyl)prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-2-cyano-3-oxo-3-(4-propylphenyl)prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-oxo-3-(4-propylphenyl)prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-cyano-3-oxo-3-(4-propylphenyl)prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-keto-3-(4-propylphenyl)prop-1-enyl]benzoic acid methyl ester Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C(=CC2=CC=C(C=C2)C(=O)OC)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)/C(=C/C2=CC=C(C=C2)C(=O)OC)/C#N

InChI

InChI=1S/C21H19NO3/c1-3-4-15-5-9-17(10-6-15)20(23)19(14-22)13-16-7-11-18(12-8-16)21(24)25-2/h5-13H,3-4H2,1-2H3/b19-13+