N-[3-(4-bromanylpyrazol-1-yl)propyl]-3,5-dinitro-benzamide

Systemtic Name: N-[3-(4-bromanylpyrazol-1-yl)propyl]-3,5-dinitro-benzamide Openeye Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3,5-dinitro-benzamide CAS Name: N-[3-(4-bromo-1-pyrazolyl)propyl]-3,5-dinitrobenzamide IUPAC Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3,5-dinitrobenzamide Traditional Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3,5-dinitro-benzamide Formula: C13H12BrN5O5 MolecularWeight: 398.16888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCCN2C=C(C=N2)Br

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCCN2C=C(C=N2)Br

InChI

InChI=1S/C13H12BrN5O5/c14-10-7-16-17(8-10)3-1-2-15-13(20)9-4-11(18(21)22)6-12(5-9)19(23)24/h4-8H,1-3H2,(H,15,20)