4-bromanyl-N-(4-cyanophenyl)-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-(4-cyanophenyl)-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-(4-cyanophenyl)-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-(4-cyanophenyl)-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-(4-cyanophenyl)-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-(4-cyanophenyl)-3-nitro-1H-pyrazole-5-carboxamide Formula: C11H6BrN5O3 MolecularWeight: 336.10104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br

InChI

InChI=1S/C11H6BrN5O3/c12-8-9(15-16-10(8)17(19)20)11(18)14-7-3-1-6(5-13)2-4-7/h1-4H,(H,14,18)(H,15,16)