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

Systemtic Name: [8-methyl-3-(4-nitrophenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2,4-dinitrobenzoate Openeye Name: [8-methyl-3-(4-nitrophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,4-dinitrobenzoate CAS Name: 2,4-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] 2,4-dinitrobenzoate Traditional Name: 2,4-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=C(C=C(C=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=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

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