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

Systemtic Name: [3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-chloranyl-5-nitro-benzoate Openeye Name: [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [3-(3,4-dimethoxyphenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C25H15ClF3NO8 MolecularWeight: 549.83671

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C(F)(F)F)OC

InChI

InChI=1S/C25H15ClF3NO8/c1-35-18-8-3-12(9-20(18)36-2)21-22(31)15-6-5-14(11-19(15)38-23(21)25(27,28)29)37-24(32)16-10-13(30(33)34)4-7-17(16)26/h3-11H,1-2H3