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

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-1-phenyl-pyrazole-4-carboxamide Formula: C17H14N4O4 MolecularWeight: 338.31746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H14N4O4/c22-16-7-6-15(21(24)25)8-12(16)9-18-17(23)13-10-19-20(11-13)14-4-2-1-3-5-14/h1-8,10-11,22H,9H2,(H,18,23)