N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-2-ethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-2-ethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-ethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-2-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-ethyl-4-nitro-pyrazole-3-carboxamide Formula: C16H15BrN6O3 MolecularWeight: 419.2327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Br

Isomeric SMILES

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Br

InChI

InChI=1S/C16H15BrN6O3/c1-2-22-15(14(8-19-22)23(25)26)16(24)20-13-5-3-4-11(6-13)9-21-10-12(17)7-18-21/h3-8,10H,2,9H2,1H3,(H,20,24)