[3-(2,5-dimethylphenyl)-5-methyl-2-oxidanylidene-6-pyridin-2-yl-pyran-4-yl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [3-(2,5-dimethylphenyl)-5-methyl-2-oxidanylidene-6-pyridin-2-yl-pyran-4-yl] 6-chloranylpyridine-3-carboxylate Openeye Name: [3-(2,5-dimethylphenyl)-5-methyl-2-oxo-6-(2-pyridyl)pyran-4-yl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [3-(2,5-dimethylphenyl)-5-methyl-2-oxo-6-(2-pyridinyl)-4-pyranyl] ester IUPAC Name: [3-(2,5-dimethylphenyl)-5-methyl-2-oxo-6-pyridin-2-ylpyran-4-yl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [3-(2,5-dimethylphenyl)-2-keto-5-methyl-6-(2-pyridyl)pyran-4-yl] ester Formula: C25H19ClN2O4 MolecularWeight: 446.88236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=C(C(=C(OC2=O)C3=CC=CC=N3)C)OC(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=C(C(=C(OC2=O)C3=CC=CC=N3)C)OC(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C25H19ClN2O4/c1-14-7-8-15(2)18(12-14)21-23(32-24(29)17-9-10-20(26)28-13-17)16(3)22(31-25(21)30)19-6-4-5-11-27-19/h4-13H,1-3H3