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

Systemtic Name: N-[3-(4-bromanylpyrazol-1-yl)propyl]-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[3-(4-bromopyrazol-1-yl)propyl]-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[3-(4-bromo-1-pyrazolyl)propyl]-1,5-dimethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[3-(4-bromopyrazol-1-yl)propyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[3-(4-bromopyrazol-1-yl)propyl]-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide Formula: C12H15BrN6O3 MolecularWeight: 371.1899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C(=O)NCCCN2C=C(C=N2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C(=O)NCCCN2C=C(C=N2)Br)[N+](=O)[O-]

InChI

InChI=1S/C12H15BrN6O3/c1-8-11(19(21)22)10(16-17(8)2)12(20)14-4-3-5-18-7-9(13)6-15-18/h6-7H,3-5H2,1-2H3,(H,14,20)