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

Systemtic Name: [4-oxidanylidene-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 2-methyl-3-nitro-benzoate Openeye Name: [3-(2-isopropylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [4-oxo-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [3-(2-isopropylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C27H20F3NO7 MolecularWeight: 527.44541

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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=CC=C4C(C)C

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=CC=C4C(C)C

InChI

InChI=1S/C27H20F3NO7/c1-14(2)17-7-4-5-10-21(17)37-24-23(32)19-12-11-16(13-22(19)38-25(24)27(28,29)30)36-26(33)18-8-6-9-20(15(18)3)31(34)35/h4-14H,1-3H3