methyl 4-[2-(4-bromanylpyrazol-1-yl)ethanoylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: methyl 4-[2-(4-bromanylpyrazol-1-yl)ethanoylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: methyl 4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[2-(4-bromo-1-pyrazolyl)-1-oxoethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-1-ethyl-pyrazole-3-carboxylic acid methyl ester Formula: C12H14BrN5O3 MolecularWeight: 356.17526

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC)NC(=O)CN2C=C(C=N2)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC)NC(=O)CN2C=C(C=N2)Br

InChI

InChI=1S/C12H14BrN5O3/c1-3-17-6-9(11(16-17)12(20)21-2)15-10(19)7-18-5-8(13)4-14-18/h4-6H,3,7H2,1-2H3,(H,15,19)