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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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