[4-oxidanylidene-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [4-oxidanylidene-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 2-chloranyl-4-nitro-benzoate Openeye Name: [3-(2-isopropylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [4-oxo-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [3-(2-isopropylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C26H17ClF3NO7 MolecularWeight: 547.86389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)C(F)(F)F

InChI

InChI=1S/C26H17ClF3NO7/c1-13(2)16-5-3-4-6-20(16)37-23-22(32)18-10-8-15(12-21(18)38-24(23)26(28,29)30)36-25(33)17-9-7-14(31(34)35)11-19(17)27/h3-13H,1-2H3