ethyl 5-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-1-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-1-methyl-pyrazole-4-carboxylate CAS Name: 5-[[2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C13H15BrN6O5 MolecularWeight: 415.1994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C

InChI

InChI=1S/C13H15BrN6O5/c1-4-25-13(22)8-5-15-18(3)11(8)16-9(21)6-19-7(2)10(14)12(17-19)20(23)24/h5H,4,6H2,1-3H3,(H,16,21)