[4-oxidanylidene-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [4-oxidanylidene-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 2-chloranyl-4-nitro-benzoate Openeye Name: [4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-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] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [4-keto-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C29H15ClF3NO7 MolecularWeight: 581.88011

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

InChI

InChI=1S/C29H15ClF3NO7/c30-23-14-18(34(37)38)8-12-21(23)28(36)40-20-11-13-22-24(15-20)41-27(29(31,32)33)26(25(22)35)39-19-9-6-17(7-10-19)16-4-2-1-3-5-16/h1-15H