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

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1,3-diphenyl-pyrazole-4-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-1,3-diphenylpyrazole-4-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-1,3-diphenyl-pyrazole-4-carboxamide Formula: C23H18N4O4 MolecularWeight: 414.41342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)C4=CC=CC=C4

InChI

InChI=1S/C23H18N4O4/c28-21-12-11-19(27(30)31)13-17(21)14-24-23(29)20-15-26(18-9-5-2-6-10-18)25-22(20)16-7-3-1-4-8-16/h1-13,15,28H,14H2,(H,24,29)