[4-oxidanylidene-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 4-nitrobenzoate

Systemtic Name: [4-oxidanylidene-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 4-nitrobenzoate Openeye Name: [4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic 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] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-keto-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C29H16F3NO7 MolecularWeight: 547.43505

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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=C(C=C5)[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=C(C=C5)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C29H16F3NO7/c30-29(31,32)27-26(38-21-12-8-18(9-13-21)17-4-2-1-3-5-17)25(34)23-15-14-22(16-24(23)40-27)39-28(35)19-6-10-20(11-7-19)33(36)37/h1-16H