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

Systemtic Name: 1-[(4-bromanylphenoxy)methyl]-N-(4-chloranyl-2-nitro-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenoxy)methyl]-N-(4-chloro-2-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenoxy)methyl]-N-(4-chloro-2-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenoxy)methyl]-N-(4-chloro-2-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-bromophenoxy)methyl]-N-(4-chloro-2-nitro-phenyl)pyrazole-3-carboxamide Formula: C17H12BrClN4O4 MolecularWeight: 451.65858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCN2C=CC(=N2)C(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1OCN2C=CC(=N2)C(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])Br

InChI

InChI=1S/C17H12BrClN4O4/c18-11-1-4-13(5-2-11)27-10-22-8-7-15(21-22)17(24)20-14-6-3-12(19)9-16(14)23(25)26/h1-9H,10H2,(H,20,24)