(2-cyano-6-ethanoyl-3,4-dimethyl-phenyl) 3,4-dimethylbenzoate

Systemtic Name: (2-cyano-6-ethanoyl-3,4-dimethyl-phenyl) 3,4-dimethylbenzoate Openeye Name: (6-acetyl-2-cyano-3,4-dimethyl-phenyl) 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid (6-acetyl-2-cyano-3,4-dimethylphenyl) ester IUPAC Name: (6-acetyl-2-cyano-3,4-dimethylphenyl) 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid (6-acetyl-2-cyano-3,4-dimethyl-phenyl) ester Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=C(C(=C(C=C2C(=O)C)C)C)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=C(C(=C(C=C2C(=O)C)C)C)C#N)C

InChI

InChI=1S/C20H19NO3/c1-11-6-7-16(8-12(11)2)20(23)24-19-17(15(5)22)9-13(3)14(4)18(19)10-21/h6-9H,1-5H3