(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[[3-(trifluoromethyl)phenyl]amino]benzoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[[3-(trifluoromethyl)phenyl]amino]benzoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 2-[3-(trifluoromethyl)anilino]benzoate CAS Name: 2-[3-(trifluoromethyl)anilino]benzoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 2-[3-(trifluoromethyl)anilino]benzoate Traditional Name: 2-[3-(trifluoromethyl)anilino]benzoic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C24H15BrF3NO4 MolecularWeight: 518.27941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C24H15BrF3NO4/c25-16-8-9-18-14(10-22(30)33-21(18)12-16)13-32-23(31)19-6-1-2-7-20(19)29-17-5-3-4-15(11-17)24(26,27)28/h1-12,29H,13H2