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

Systemtic Name: [3-(2,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-nitrobenzoate Openeye Name: [3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [3-(2,5-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(=C(C=C1)C)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CC=C4[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

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

InChI

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