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

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-1-(4-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-1-(4-nitrophenyl)pyrazole-4-carboxamide Formula: C17H13N5O6 MolecularWeight: 383.31502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=C(C=N2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C=C(C=N2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O6/c23-16-6-5-15(22(27)28)7-11(16)8-18-17(24)12-9-19-20(10-12)13-1-3-14(4-2-13)21(25)26/h1-7,9-10,23H,8H2,(H,18,24)