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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)OC3=CC=CC(=C3C#N)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)OC3=CC=CC(=C3C#N)C#N)C

InChI

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