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

Systemtic Name: N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Formula: C13H17BrN6O4 MolecularWeight: 401.21588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNC(=O)C2=C(C(=NN2)OC)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=C(C(=NN1CCCNC(=O)C2=C(C(=NN2)OC)[N+](=O)[O-])C)Br

InChI

InChI=1S/C13H17BrN6O4/c1-7-9(14)8(2)19(18-7)6-4-5-15-12(21)10-11(20(22)23)13(24-3)17-16-10/h4-6H2,1-3H3,(H,15,21)(H,16,17)