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

Systemtic Name: [4-oxidanylidene-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 3,5-dinitrobenzoate Openeye Name: [4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-keto-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C29H15F3N2O9 MolecularWeight: 592.43261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OC3=C(OC4=C(C3=O)C=CC(=C4)OC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OC3=C(OC4=C(C3=O)C=CC(=C4)OC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C29H15F3N2O9/c30-29(31,32)27-26(41-21-8-6-17(7-9-21)16-4-2-1-3-5-16)25(35)23-11-10-22(15-24(23)43-27)42-28(36)18-12-19(33(37)38)14-20(13-18)34(39)40/h1-15H