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

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-azanyl-3,5,6-tris(chloranyl)pyridine-2-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 4-amino-3,5,6-trichloro-pyridine-2-carboxylate CAS Name: 4-amino-3,5,6-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 4-amino-3,5,6-trichloropyridine-2-carboxylate Traditional Name: 4-amino-3,5,6-trichloro-picolinic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C20H17Cl3N2O4 MolecularWeight: 455.71898

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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)N)Cl)Cl)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl3N2O4/c1-8(2)11-6-12-10(5-14(26)29-13(12)4-9(11)3)7-28-20(27)18-15(21)17(24)16(22)19(23)25-18/h4-6,8H,7H2,1-3H3,(H2,24,25)