[2-[[3,5-bis(bromanyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-1-methyl-pyrazole-3-carboxylate

Systemtic Name: [2-[[3,5-bis(bromanyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-1-methyl-pyrazole-3-carboxylate Openeye Name: [2-[(3,5-dibromo-2-pyridyl)amino]-2-oxo-ethyl] 4-chloro-1-methyl-pyrazole-3-carboxylate CAS Name: 4-chloro-1-methyl-3-pyrazolecarboxylic acid [2-[(3,5-dibromo-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dibromopyridin-2-yl)amino]-2-oxoethyl] 4-chloro-1-methylpyrazole-3-carboxylate Traditional Name: 4-chloro-1-methyl-pyrazole-3-carboxylic acid [2-[(3,5-dibromo-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C12H9Br2ClN4O3 MolecularWeight: 452.48586

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)OCC(=O)NC2=C(C=C(C=N2)Br)Br)Cl

Isomeric SMILES

CN1C=C(C(=N1)C(=O)OCC(=O)NC2=C(C=C(C=N2)Br)Br)Cl

InChI

InChI=1S/C12H9Br2ClN4O3/c1-19-4-8(15)10(18-19)12(21)22-5-9(20)17-11-7(14)2-6(13)3-16-11/h2-4H,5H2,1H3,(H,16,17,20)