5-(2-methylheptan-2-yl)-3-nitro-2-oxidanyl-benzamide

Systemtic Name: 5-(2-methylheptan-2-yl)-3-nitro-2-oxidanyl-benzamide Openeye Name: 5-(1,1-dimethylhexyl)-2-hydroxy-3-nitro-benzamide CAS Name: 2-hydroxy-5-(2-methylheptan-2-yl)-3-nitrobenzamide IUPAC Name: 2-hydroxy-5-(2-methylheptan-2-yl)-3-nitrobenzamide Traditional Name: 5-(1,1-dimethylhexyl)-2-hydroxy-3-nitro-benzamide Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4/c1-4-5-6-7-15(2,3)10-8-11(14(16)19)13(18)12(9-10)17(20)21/h8-9,18H,4-7H2,1-3H3,(H2,16,19)