N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-1-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Formula: C14H19BrN6O3 MolecularWeight: 399.24306

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NCCCN2C(=C(C(=N2)C)Br)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NCCCN2C(=C(C(=N2)C)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C14H19BrN6O3/c1-4-19-8-11(21(23)24)13(18-19)14(22)16-6-5-7-20-10(3)12(15)9(2)17-20/h8H,4-7H2,1-3H3,(H,16,22)