4-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]-N,1-dimethyl-pyrazole-3-carboxamide

Systemtic Name: 4-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]-N,1-dimethyl-pyrazole-3-carboxamide Openeye Name: 4-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-N,1-dimethyl-pyrazole-3-carboxamide CAS Name: 4-[[3-(4-bromo-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-N,1-dimethyl-3-pyrazolecarboxamide IUPAC Name: 4-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide Traditional Name: 4-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-N,1-dimethyl-pyrazole-3-carboxamide Formula: C12H14BrN7O4 MolecularWeight: 400.18806

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C=C1NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)C

Isomeric SMILES

CNC(=O)C1=NN(C=C1NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)C

InChI

InChI=1S/C12H14BrN7O4/c1-14-12(22)10-8(6-18(2)16-10)15-9(21)3-4-19-5-7(13)11(17-19)20(23)24/h5-6H,3-4H2,1-2H3,(H,14,22)(H,15,21)