N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[1-[(4-bromophenoxy)methyl]-4-pyrazolyl]-1-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Formula: C16H15BrN6O4 MolecularWeight: 435.2321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CN(N=C2)COC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CN(N=C2)COC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H15BrN6O4/c1-2-21-9-14(23(25)26)15(20-21)16(24)19-12-7-18-22(8-12)10-27-13-5-3-11(17)4-6-13/h3-9H,2,10H2,1H3,(H,19,24)