[3-(2,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-cyano-3-phenyl-prop-2-enoate

Systemtic Name: [3-(2,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-cyano-3-phenyl-prop-2-enoate Openeye Name: [3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-cyano-3-phenyl-prop-2-enoate CAS Name: 2-cyano-3-phenyl-2-propenoic acid [3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-cyano-3-phenylprop-2-enoate Traditional Name: 2-cyano-3-phenyl-acrylic acid [3-(2,5-dimethylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C28H18F3NO5 MolecularWeight: 505.44143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C(=CC4=CC=CC=C4)C#N)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C(=CC4=CC=CC=C4)C#N)C(F)(F)F

InChI

InChI=1S/C28H18F3NO5/c1-16-8-9-17(2)22(12-16)36-25-24(33)21-11-10-20(14-23(21)37-26(25)28(29,30)31)35-27(34)19(15-32)13-18-6-4-3-5-7-18/h3-14H,1-2H3