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

Systemtic Name: 4-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]-1-ethyl-N-methyl-pyrazole-3-carboxamide Openeye Name: 4-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-1-ethyl-N-methyl-pyrazole-3-carboxamide CAS Name: 4-[[3-(4-bromo-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-1-ethyl-N-methyl-3-pyrazolecarboxamide IUPAC Name: 4-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide Traditional Name: 4-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-1-ethyl-N-methyl-pyrazole-3-carboxamide Formula: C13H16BrN7O4 MolecularWeight: 414.21464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrN7O4/c1-3-19-7-9(11(17-19)13(23)15-2)16-10(22)4-5-20-6-8(14)12(18-20)21(24)25/h6-7H,3-5H2,1-2H3,(H,15,23)(H,16,22)