4-bromanyl-1-ethyl-N-(4-methyl-2-nitro-phenyl)pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-1-ethyl-N-(4-methyl-2-nitro-phenyl)pyrazole-3-carboxamide Openeye Name: 4-bromo-1-ethyl-N-(4-methyl-2-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 4-bromo-1-ethyl-N-(4-methyl-2-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 4-bromo-1-ethyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 4-bromo-1-ethyl-N-(4-methyl-2-nitro-phenyl)pyrazole-3-carboxamide Formula: C13H13BrN4O3 MolecularWeight: 353.17132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN4O3/c1-3-17-7-9(14)12(16-17)13(19)15-10-5-4-8(2)6-11(10)18(20)21/h4-7H,3H2,1-2H3,(H,15,19)