methyl 2-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]ethanoate

Systemtic Name: methyl 2-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]ethanoate Openeye Name: methyl 2-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]acetate CAS Name: 2-[[3-(4-bromo-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]acetate Traditional Name: 2-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]acetic acid methyl ester Formula: C9H11BrN4O5 MolecularWeight: 335.11144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CCN1C=C(C(=N1)[N+](=O)[O-])Br

Isomeric SMILES

COC(=O)CNC(=O)CCN1C=C(C(=N1)[N+](=O)[O-])Br

InChI

InChI=1S/C9H11BrN4O5/c1-19-8(16)4-11-7(15)2-3-13-5-6(10)9(12-13)14(17)18/h5H,2-4H2,1H3,(H,11,15)