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

Systemtic Name: [3-(2-methoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-methyl-3-nitro-benzoate Openeye Name: [3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [4-keto-3-(2-methoxyphenyl)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C25H16F3NO7 MolecularWeight: 499.39225

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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)C4=CC=CC=C4OC

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)C4=CC=CC=C4OC

InChI

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