[3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-nitrobenzoate

Systemtic Name: [3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-nitrobenzoate Openeye Name: [3-(4-chloro-3,5-dimethyl-phenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [3-(4-chloro-3,5-dimethyl-phenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C25H15ClF3NO7 MolecularWeight: 533.83731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CC=C4[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CC=C4[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C25H15ClF3NO7/c1-12-9-15(10-13(2)20(12)26)35-22-21(31)17-8-7-14(11-19(17)37-23(22)25(27,28)29)36-24(32)16-5-3-4-6-18(16)30(33)34/h3-11H,1-2H3