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

Systemtic Name: ethyl 5-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-1-methyl-pyrazole-4-carboxylate CAS Name: 5-[[3-(4-bromo-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-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)CCN2C=C(C(=N2)[N+](=O)[O-])Br

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C13H15BrN6O5/c1-3-25-13(22)8-6-15-18(2)11(8)16-10(21)4-5-19-7-9(14)12(17-19)20(23)24/h6-7H,3-5H2,1-2H3,(H,16,21)