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

Systemtic Name: [3-(2,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [3-(2,5-dimethylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C26H17F3N2O9 MolecularWeight: 558.41639

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H17F3N2O9/c1-12-4-5-13(2)20(8-12)39-23-22(32)17-7-6-16(11-21(17)40-24(23)26(27,28)29)38-25(33)15-9-18(30(34)35)14(3)19(10-15)31(36)37/h4-11H,1-3H3