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

Systemtic Name: [3-(4-chlorophenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3-nitrobenzoate Openeye Name: [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-nitrobenzoate CAS Name: 3-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] 3-nitrobenzoate Traditional Name: 3-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(=C1)[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)C4=CC=C(C=C4)Cl

InChI

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