5-tert-butyl-N-(2-chloranyl-4-nitro-phenyl)-2-methyl-3-nitroso-6-oxidanyl-benzamide

Systemtic Name: 5-tert-butyl-N-(2-chloranyl-4-nitro-phenyl)-2-methyl-3-nitroso-6-oxidanyl-benzamide Openeye Name: 3-tert-butyl-N-(2-chloro-4-nitro-phenyl)-2-hydroxy-6-methyl-5-nitroso-benzamide CAS Name: 3-tert-butyl-N-(2-chloro-4-nitrophenyl)-2-hydroxy-6-methyl-5-nitrosobenzamide IUPAC Name: 3-tert-butyl-N-(2-chloro-4-nitrophenyl)-2-hydroxy-6-methyl-5-nitrosobenzamide Traditional Name: 3-tert-butyl-N-(2-chloro-4-nitro-phenyl)-2-hydroxy-6-methyl-5-nitroso-benzamide Formula: C18H18ClN3O5 MolecularWeight: 391.80562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)O)C(C)(C)C)N=O

Isomeric SMILES

CC1=C(C=C(C(=C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)O)C(C)(C)C)N=O

InChI

InChI=1S/C18H18ClN3O5/c1-9-14(21-25)8-11(18(2,3)4)16(23)15(9)17(24)20-13-6-5-10(22(26)27)7-12(13)19/h5-8,23H,1-4H3,(H,20,24)