2-[(4-chloranylphenoxy)methyl]-N-(5-nitro-2-oxidanyl-phenyl)pyrazole-3-carboxamide

Systemtic Name: 2-[(4-chloranylphenoxy)methyl]-N-(5-nitro-2-oxidanyl-phenyl)pyrazole-3-carboxamide Openeye Name: 2-[(4-chlorophenoxy)methyl]-N-(2-hydroxy-5-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 2-[(4-chlorophenoxy)methyl]-N-(2-hydroxy-5-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 2-[(4-chlorophenoxy)methyl]-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 2-[(4-chlorophenoxy)methyl]-N-(2-hydroxy-5-nitro-phenyl)pyrazole-3-carboxamide Formula: C17H13ClN4O5 MolecularWeight: 388.76192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN4O5/c18-11-1-4-13(5-2-11)27-10-21-15(7-8-19-21)17(24)20-14-9-12(22(25)26)3-6-16(14)23/h1-9,23H,10H2,(H,20,24)