[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] pyridine-3-carboxylate

Systemtic Name: [3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] pyridine-3-carboxylate Openeye Name: [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic 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] pyridine-3-carboxylate Traditional Name: nicotinic acid [3-(3,4-dimethoxyphenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C24H16F3NO6 MolecularWeight: 471.38215

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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=CN=CC=C4)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=CN=CC=C4)C(F)(F)F)OC

InChI

InChI=1S/C24H16F3NO6/c1-31-17-8-5-13(10-19(17)32-2)20-21(29)16-7-6-15(11-18(16)34-22(20)24(25,26)27)33-23(30)14-4-3-9-28-12-14/h3-12H,1-2H3