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

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-1-phenyl-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-1-phenyl-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-1-phenyl-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C22H17N5O4 MolecularWeight: 415.40148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C22H17N5O4/c28-20-9-8-18(27(30)31)11-16(20)13-24-22(29)19-14-26(17-6-2-1-3-7-17)25-21(19)15-5-4-10-23-12-15/h1-12,14,28H,13H2,(H,24,29)