(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3,5-bis(trifluoromethyl)benzoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C21H13F6NO5 MolecularWeight: 473.322039

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H13F6NO5/c1-10(29)28-15-2-3-16-12(6-18(30)33-17(16)8-15)9-32-19(31)11-4-13(20(22,23)24)7-14(5-11)21(25,26)27/h2-8H,9H2,1H3,(H,28,29)