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

Systemtic Name: methyl 2-[(E)-2-cyano-3-oxidanylidene-3-(4-propylphenyl)prop-1-enyl]benzoate Openeye Name: methyl 2-[(E)-2-cyano-3-oxo-3-(4-propylphenyl)prop-1-enyl]benzoate CAS Name: 2-[(E)-2-cyano-3-oxo-3-(4-propylphenyl)prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(E)-2-cyano-3-oxo-3-(4-propylphenyl)prop-1-enyl]benzoate Traditional Name: 2-[(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=CC=C2C(=O)OC)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)/C(=C/C2=CC=CC=C2C(=O)OC)/C#N

InChI

InChI=1S/C21H19NO3/c1-3-6-15-9-11-16(12-10-15)20(23)18(14-22)13-17-7-4-5-8-19(17)21(24)25-2/h4-5,7-13H,3,6H2,1-2H3/b18-13+