4,4-dimethyl-N-(4-nitro-5-octoxy-2-oxidanyl-phenyl)-3-oxidanylidene-pentanamide

Systemtic Name: 4,4-dimethyl-N-(4-nitro-5-octoxy-2-oxidanyl-phenyl)-3-oxidanylidene-pentanamide Openeye Name: N-(2-hydroxy-4-nitro-5-octoxy-phenyl)-4,4-dimethyl-3-oxo-pentanamide CAS Name: N-(2-hydroxy-4-nitro-5-octoxyphenyl)-4,4-dimethyl-3-oxopentanamide IUPAC Name: N-(2-hydroxy-4-nitro-5-octoxyphenyl)-4,4-dimethyl-3-oxopentanamide Traditional Name: N-(2-hydroxy-4-nitro-5-octoxy-phenyl)-3-keto-4,4-dimethyl-valeramide Formula: C21H32N2O6 MolecularWeight: 408.48858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C(=C1)NC(=O)CC(=O)C(C)(C)C)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C(=C1)NC(=O)CC(=O)C(C)(C)C)O)[N+](=O)[O-]

InChI

InChI=1S/C21H32N2O6/c1-5-6-7-8-9-10-11-29-18-12-15(17(24)13-16(18)23(27)28)22-20(26)14-19(25)21(2,3)4/h12-13,24H,5-11,14H2,1-4H3,(H,22,26)