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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)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)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/C25H15F3N2O9/c1-12-3-5-15(6-4-12)37-22-21(31)17-8-7-16(11-20(17)39-23(22)25(26,27)28)38-24(32)14-9-18(29(33)34)13(2)19(10-14)30(35)36/h3-11H,1-2H3