(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3,4,5-tris(chloranyl)pyridine-2-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3,4,5-tris(chloranyl)pyridine-2-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 3,4,5-trichloropyridine-2-carboxylate CAS Name: 3,4,5-trichloro-2-pyridinecarboxylic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 3,4,5-trichloropyridine-2-carboxylate Traditional Name: 3,4,5-trichloropicolinic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C20H16Cl3NO4 MolecularWeight: 440.70434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=NC=C(C(=C3Cl)Cl)Cl)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=NC=C(C(=C3Cl)Cl)Cl)C(C)C

InChI

InChI=1S/C20H16Cl3NO4/c1-9(2)12-6-13-11(5-16(25)28-15(13)4-10(12)3)8-27-20(26)19-18(23)17(22)14(21)7-24-19/h4-7,9H,8H2,1-3H3