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

Systemtic Name: [3-(3-methylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-methyl-3-nitro-benzoate Openeye Name: [3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [4-keto-3-(3-methylphenoxy)-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=C(C(=CC=C4)[N+](=O)[O-])C)C(F)(F)F

Isomeric SMILES

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

InChI

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