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

Systemtic Name: [3-(4-tert-butylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-cyano-3-phenyl-prop-2-enoate Openeye Name: [3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-cyano-3-phenyl-prop-2-enoate CAS Name: 2-cyano-3-phenyl-2-propenoic acid [3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-cyano-3-phenylprop-2-enoate Traditional Name: 2-cyano-3-phenyl-acrylic acid [3-(4-tert-butylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C30H22F3NO5 MolecularWeight: 533.49459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)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/C30H22F3NO5/c1-29(2,3)20-9-11-21(12-10-20)37-26-25(35)23-14-13-22(16-24(23)39-27(26)30(31,32)33)38-28(36)19(17-34)15-18-7-5-4-6-8-18/h4-16H,1-3H3