5-tert-butyl-3-nitro-N-(4-nitrophenyl)-2-oxidanyl-benzamide

Systemtic Name: 5-tert-butyl-3-nitro-N-(4-nitrophenyl)-2-oxidanyl-benzamide Openeye Name: 5-tert-butyl-2-hydroxy-3-nitro-N-(4-nitrophenyl)benzamide CAS Name: 5-tert-butyl-2-hydroxy-3-nitro-N-(4-nitrophenyl)benzamide IUPAC Name: 5-tert-butyl-2-hydroxy-3-nitro-N-(4-nitrophenyl)benzamide Traditional Name: 5-tert-butyl-2-hydroxy-3-nitro-N-(4-nitrophenyl)benzamide Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6/c1-17(2,3)10-8-13(15(21)14(9-10)20(25)26)16(22)18-11-4-6-12(7-5-11)19(23)24/h4-9,21H,1-3H3,(H,18,22)