N-[3-[[5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]phenyl]-2-ethyl-pyrazole-3-carboxamide

Systemtic Name: N-[3-[[5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]phenyl]-2-ethyl-pyrazole-3-carboxamide Openeye Name: N-[3-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]furan-2-carbonyl]amino]phenyl]-2-ethyl-pyrazole-3-carboxamide CAS Name: N-[3-[[[5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]phenyl]-2-ethyl-3-pyrazolecarboxamide IUPAC Name: N-[3-[[5-[(4-bromo-3-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide Traditional Name: N-[3-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-2-furoyl]amino]phenyl]-2-ethyl-pyrazole-3-carboxamide Formula: C21H18BrN7O5 MolecularWeight: 528.31552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=C(O3)CN4C=C(C(=N4)[N+](=O)[O-])Br

Isomeric SMILES

CCN1C(=CC=N1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=C(O3)CN4C=C(C(=N4)[N+](=O)[O-])Br

InChI

InChI=1S/C21H18BrN7O5/c1-2-28-17(8-9-23-28)20(30)24-13-4-3-5-14(10-13)25-21(31)18-7-6-15(34-18)11-27-12-16(22)19(26-27)29(32)33/h3-10,12H,2,11H2,1H3,(H,24,30)(H,25,31)