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

Systemtic Name: [8-methyl-3-(4-nitrophenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3,5-dinitrobenzoate Openeye Name: [8-methyl-3-(4-nitrophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [8-methyl-3-(4-nitrophenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [8-methyl-3-(4-nitrophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-keto-8-methyl-3-(4-nitrophenoxy)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C24H12F3N3O11 MolecularWeight: 575.36079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H12F3N3O11/c1-11-18(40-23(32)12-8-14(29(35)36)10-15(9-12)30(37)38)7-6-17-19(31)21(22(24(25,26)27)41-20(11)17)39-16-4-2-13(3-5-16)28(33)34/h2-10H,1H3