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

Systemtic Name: methyl 4-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: methyl 4-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[3-(4-bromo-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-1-ethyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-1-ethyl-pyrazole-3-carboxylic acid methyl ester Formula: C13H15BrN6O5 MolecularWeight: 415.1994

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br

InChI

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