[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 3-cyanobenzoate

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 3-cyanobenzoate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C18H8F3NO4 MolecularWeight: 359.25563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)C#N

InChI

InChI=1S/C18H8F3NO4/c19-18(20,21)14-8-16(23)26-15-7-12(4-5-13(14)15)25-17(24)11-3-1-2-10(6-11)9-22/h1-8H