[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(3,4-dicyanophenoxy)benzoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(3,4-dicyanophenoxy)benzoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 3-(3,4-dicyanophenoxy)benzoate CAS Name: 3-(3,4-dicyanophenoxy)benzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-(3,4-dicyanophenoxy)benzoate Traditional Name: 3-(3,4-dicyanophenoxy)benzoic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C25H18N2O4 MolecularWeight: 410.42142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC(=CC=C2)OC3=CC(=C(C=C3)C#N)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC(=CC=C2)OC3=CC(=C(C=C3)C#N)C#N

InChI

InChI=1S/C25H18N2O4/c1-16-6-7-17(2)23(10-16)24(28)15-30-25(29)18-4-3-5-21(11-18)31-22-9-8-19(13-26)20(12-22)14-27/h3-12H,15H2,1-2H3