[3-(3,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-nitrobenzoate

Systemtic Name: [3-(3,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-nitrobenzoate Openeye Name: [3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-(3,5-dimethylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C25H16F3NO7 MolecularWeight: 499.39225

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(F)(F)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(F)(F)F)C

InChI

InChI=1S/C25H16F3NO7/c1-13-9-14(2)11-18(10-13)34-22-21(30)19-8-7-17(12-20(19)36-23(22)25(26,27)28)35-24(31)15-3-5-16(6-4-15)29(32)33/h3-12H,1-2H3