N-(5-nitro-2-oxidanyl-phenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(5-nitro-2-oxidanyl-phenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(2-hydroxy-5-nitro-phenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(2-hydroxy-5-nitrophenyl)-1-[(4-phenylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-hydroxy-5-nitrophenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-phenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Formula: C23H18N4O5 MolecularWeight: 430.41282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OCN3C=CC(=N3)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OCN3C=CC(=N3)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C23H18N4O5/c28-22-11-8-18(27(30)31)14-21(22)24-23(29)20-12-13-26(25-20)15-32-19-9-6-17(7-10-19)16-4-2-1-3-5-16/h1-14,28H,15H2,(H,24,29)