5-nitro-N-octadecyl-2-oxidanyl-benzamide

Systemtic Name: 5-nitro-N-octadecyl-2-oxidanyl-benzamide Openeye Name: 2-hydroxy-5-nitro-N-octadecyl-benzamide CAS Name: 2-hydroxy-5-nitro-N-octadecylbenzamide IUPAC Name: 2-hydroxy-5-nitro-N-octadecylbenzamide Traditional Name: 2-hydroxy-5-nitro-N-stearyl-benzamide Formula: C25H42N2O4 MolecularWeight: 434.61198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H42N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-25(29)23-21-22(27(30)31)18-19-24(23)28/h18-19,21,28H,2-17,20H2,1H3,(H,26,29)