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

Systemtic Name: [3-(3,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-cyano-3-phenyl-prop-2-enoate Openeye Name: [3-(3,5-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-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-cyano-3-phenylprop-2-enoate Traditional Name: 2-cyano-3-phenyl-acrylic acid [3-(3,5-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(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C(=CC4=CC=CC=C4)C#N)C(F)(F)F)C

Isomeric SMILES

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

InChI

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