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

Systemtic Name: N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C13H17BrN6O3 MolecularWeight: 385.21648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNC(=O)C2=NN(C=C2[N+](=O)[O-])C)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCCNC(=O)C2=NN(C=C2[N+](=O)[O-])C)C)Br

InChI

InChI=1S/C13H17BrN6O3/c1-8-11(14)9(2)19(16-8)6-4-5-15-13(21)12-10(20(22)23)7-18(3)17-12/h7H,4-6H2,1-3H3,(H,15,21)