[3-(3-methylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [3-(3-methylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-chloranyl-5-nitro-benzoate Openeye Name: [3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [4-keto-3-(3-methylphenoxy)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C24H13ClF3NO7 MolecularWeight: 519.81073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C(F)(F)F

InChI

InChI=1S/C24H13ClF3NO7/c1-12-3-2-4-14(9-12)34-21-20(30)16-7-6-15(11-19(16)36-22(21)24(26,27)28)35-23(31)17-10-13(29(32)33)5-8-18(17)25/h2-11H,1H3