ethyl 5-[2-(4-bromanylpyrazol-1-yl)ethanoylamino]-1-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-(4-bromanylpyrazol-1-yl)ethanoylamino]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-1-methyl-pyrazole-4-carboxylate CAS Name: 5-[[2-(4-bromo-1-pyrazolyl)-1-oxoethyl]amino]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C12H14BrN5O3 MolecularWeight: 356.17526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C)NC(=O)CN2C=C(C=N2)Br

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C)NC(=O)CN2C=C(C=N2)Br

InChI

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