N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-1-[(2-chloranyl-4-nitro-phenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-1-[(2-chloranyl-4-nitro-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1-[(2-chloro-4-nitro-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[1-[(4-bromophenoxy)methyl]-4-pyrazolyl]-1-[(2-chloro-4-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1-[(2-chloro-4-nitro-phenoxy)methyl]pyrazole-3-carboxamide Formula: C21H16BrClN6O5 MolecularWeight: 547.74594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCN2C=C(C=N2)NC(=O)C3=NN(C=C3)COC4=C(C=C(C=C4)[N+](=O)[O-])Cl)Br

Isomeric SMILES

C1=CC(=CC=C1OCN2C=C(C=N2)NC(=O)C3=NN(C=C3)COC4=C(C=C(C=C4)[N+](=O)[O-])Cl)Br

InChI

InChI=1S/C21H16BrClN6O5/c22-14-1-4-17(5-2-14)33-13-28-11-15(10-24-28)25-21(30)19-7-8-27(26-19)12-34-20-6-3-16(29(31)32)9-18(20)23/h1-11H,12-13H2,(H,25,30)