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

Systemtic Name: [3-(4-chlorophenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-nitrobenzoate Openeye Name: [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic 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] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-(4-chlorophenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C23H11ClF3NO6 MolecularWeight: 489.78475

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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=C(C=C4)[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=C(C=C4)[N+](=O)[O-])C(F)(F)F)Cl

InChI

InChI=1S/C23H11ClF3NO6/c24-14-5-1-12(2-6-14)19-20(29)17-10-9-16(11-18(17)34-21(19)23(25,26)27)33-22(30)13-3-7-15(8-4-13)28(31)32/h1-11H