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

Systemtic Name: [3-naphthalen-2-yloxy-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3,5-dinitrobenzoate Openeye Name: [3-(2-naphthyloxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [3-(2-naphthalenyloxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-keto-3-(2-naphthoxy)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C27H13F3N2O9 MolecularWeight: 566.39533

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)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=C2C=C(C=CC2=C1)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/C27H13F3N2O9/c28-27(29,30)25-24(39-19-6-5-14-3-1-2-4-15(14)11-19)23(33)21-8-7-20(13-22(21)41-25)40-26(34)16-9-17(31(35)36)12-18(10-16)32(37)38/h1-13H