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

Systemtic Name: [3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-cyano-3-phenyl-prop-2-enoate Openeye Name: [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-cyano-3-phenyl-prop-2-enoate CAS Name: 2-cyano-3-phenyl-2-propenoic acid [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-cyano-3-phenylprop-2-enoate Traditional Name: 2-cyano-3-phenyl-acrylic acid [3-(3,4-dimethoxyphenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C28H18F3NO6 MolecularWeight: 521.44083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C(=CC4=CC=CC=C4)C#N)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C(=CC4=CC=CC=C4)C#N)C(F)(F)F)OC

InChI

InChI=1S/C28H18F3NO6/c1-35-21-11-8-17(13-23(21)36-2)24-25(33)20-10-9-19(14-22(20)38-26(24)28(29,30)31)37-27(34)18(15-32)12-16-6-4-3-5-7-16/h3-14H,1-2H3