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

Systemtic Name: [3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3-methyl-4-nitro-benzoate Openeye Name: [3-(4-chloro-3,5-dimethyl-phenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-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] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [3-(4-chloro-3,5-dimethyl-phenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C26H17ClF3NO7 MolecularWeight: 547.86389

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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(=C(C=C4)[N+](=O)[O-])C)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C26H17ClF3NO7/c1-12-8-15(4-7-19(12)31(34)35)25(33)37-16-5-6-18-20(11-16)38-24(26(28,29)30)23(22(18)32)36-17-9-13(2)21(27)14(3)10-17/h4-11H,1-3H3