[3-(3,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3,5-dinitrobenzoate

Systemtic Name: [3-(3,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3,5-dinitrobenzoate Openeye Name: [3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [3-(3,5-dimethylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C25H15F3N2O9 MolecularWeight: 544.38981

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

Isomeric SMILES

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

InChI

InChI=1S/C25H15F3N2O9/c1-12-5-13(2)7-18(6-12)37-22-21(31)19-4-3-17(11-20(19)39-23(22)25(26,27)28)38-24(32)14-8-15(29(33)34)10-16(9-14)30(35)36/h3-11H,1-2H3