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

Systemtic Name: [3-(4-chlorophenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3,5-dinitrobenzoate Openeye Name: [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [3-(4-chlorophenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C23H10ClF3N2O8 MolecularWeight: 534.78231

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F)Cl

InChI

InChI=1S/C23H10ClF3N2O8/c24-13-3-1-11(2-4-13)19-20(30)17-6-5-16(10-18(17)37-21(19)23(25,26)27)36-22(31)12-7-14(28(32)33)9-15(8-12)29(34)35/h1-10H