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

Systemtic Name: 1-[(4-bromanyl-2-chloranyl-phenoxy)methyl]-N-(4-nitro-2-oxidanyl-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-bromo-2-chloro-phenoxy)methyl]-N-(2-hydroxy-4-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-2-chlorophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromo-2-chlorophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-bromo-2-chloro-phenoxy)methyl]-N-(2-hydroxy-4-nitro-phenyl)pyrazole-3-carboxamide Formula: C17H12BrClN4O5 MolecularWeight: 467.65798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])O)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])O)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C17H12BrClN4O5/c18-10-1-4-16(12(19)7-10)28-9-22-6-5-14(21-22)17(25)20-13-3-2-11(23(26)27)8-15(13)24/h1-8,24H,9H2,(H,20,25)