[2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 1-methylpyrazole-3-carboxylate

Systemtic Name: [2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 1-methylpyrazole-3-carboxylate Openeye Name: [2-[(5-bromo-2-pyridyl)amino]-2-oxo-ethyl] 1-methylpyrazole-3-carboxylate CAS Name: 1-methyl-3-pyrazolecarboxylic acid [2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromopyridin-2-yl)amino]-2-oxoethyl] 1-methylpyrazole-3-carboxylate Traditional Name: 1-methylpyrazole-3-carboxylic acid [2-[(5-bromo-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C12H11BrN4O3 MolecularWeight: 339.14474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)OCC(=O)NC2=NC=C(C=C2)Br

Isomeric SMILES

CN1C=CC(=N1)C(=O)OCC(=O)NC2=NC=C(C=C2)Br

InChI

InChI=1S/C12H11BrN4O3/c1-17-5-4-9(16-17)12(19)20-7-11(18)15-10-3-2-8(13)6-14-10/h2-6H,7H2,1H3,(H,14,15,18)