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

Systemtic Name: [3-(3,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-methyl-3-nitro-benzoate Openeye Name: [3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-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] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [3-(3,5-dimethylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C26H18F3NO7 MolecularWeight: 513.41883

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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)C

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)C

InChI

InChI=1S/C26H18F3NO7/c1-13-9-14(2)11-17(10-13)35-23-22(31)19-8-7-16(12-21(19)37-24(23)26(27,28)29)36-25(32)18-5-4-6-20(15(18)3)30(33)34/h4-12H,1-3H3