[3-(4-fluoranylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-methyl-3-nitro-benzoate

Systemtic Name: [3-(4-fluoranylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-methyl-3-nitro-benzoate Openeye Name: [3-(4-fluorophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [3-(4-fluorophenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-fluorophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [3-(4-fluorophenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C24H13F4NO7 MolecularWeight: 503.356133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=C(C=C4)F

InChI

InChI=1S/C24H13F4NO7/c1-12-16(3-2-4-18(12)29(32)33)23(31)35-15-9-10-17-19(11-15)36-22(24(26,27)28)21(20(17)30)34-14-7-5-13(25)6-8-14/h2-11H,1H3