[2-[[7-ethyl-9-methyl-8-(2-methylpropanoyloxy)-2,6-bis(oxidanylidene)-1,5-dioxonan-3-yl]carbamoyl]-4-methyl-pyridin-3-yl] 5,6-bis(chloranyl)pyridine-3-carboxylate

Systemtic Name: [2-[[7-ethyl-9-methyl-8-(2-methylpropanoyloxy)-2,6-bis(oxidanylidene)-1,5-dioxonan-3-yl]carbamoyl]-4-methyl-pyridin-3-yl] 5,6-bis(chloranyl)pyridine-3-carboxylate Openeye Name: [2-[[7-ethyl-9-methyl-8-(2-methylpropanoyloxy)-2,6-dioxo-1,5-dioxonan-3-yl]carbamoyl]-4-methyl-3-pyridyl] 5,6-dichloropyridine-3-carboxylate CAS Name: 5,6-dichloro-3-pyridinecarboxylic acid [2-[[[7-ethyl-9-methyl-8-(2-methyl-1-oxopropoxy)-2,6-dioxo-1,5-dioxonan-3-yl]amino]-oxomethyl]-4-methyl-3-pyridinyl] ester IUPAC Name: [2-[[7-ethyl-9-methyl-8-(2-methylpropanoyloxy)-2,6-dioxo-1,5-dioxonan-3-yl]carbamoyl]-4-methylpyridin-3-yl] 5,6-dichloropyridine-3-carboxylate Traditional Name: 5,6-dichloronicotinic acid [2-[(7-ethyl-8-isobutyryloxy-2,6-diketo-9-methyl-1,5-dioxonan-3-yl)carbamoyl]-4-methyl-3-pyridyl] ester Formula: C27H29Cl2N3O9 MolecularWeight: 610.43986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(OC(=O)C(COC1=O)NC(=O)C2=NC=CC(=C2OC(=O)C3=CC(=C(N=C3)Cl)Cl)C)C)OC(=O)C(C)C

Isomeric SMILES

CCC1C(C(OC(=O)C(COC1=O)NC(=O)C2=NC=CC(=C2OC(=O)C3=CC(=C(N=C3)Cl)Cl)C)C)OC(=O)C(C)C

InChI

InChI=1S/C27H29Cl2N3O9/c1-6-16-21(41-24(34)12(2)3)14(5)39-27(37)18(11-38-26(16)36)32-23(33)19-20(13(4)7-8-30-19)40-25(35)15-9-17(28)22(29)31-10-15/h7-10,12,14,16,18,21H,6,11H2,1-5H3,(H,32,33)