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

Systemtic Name: [3-(2-bromanylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3-nitrobenzoate Openeye Name: [3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-(2-bromophenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C23H11BrF3NO7 MolecularWeight: 550.23515

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(F)(F)F)Br

Isomeric SMILES

C1=CC=C(C(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(F)(F)F)Br

InChI

InChI=1S/C23H11BrF3NO7/c24-16-6-1-2-7-17(16)34-20-19(29)15-9-8-14(11-18(15)35-21(20)23(25,26)27)33-22(30)12-4-3-5-13(10-12)28(31)32/h1-11H