2-(hydroxymethyl)-5-nitro-N-octadecyl-benzamide

Systemtic Name: 2-(hydroxymethyl)-5-nitro-N-octadecyl-benzamide Openeye Name: 2-(hydroxymethyl)-5-nitro-N-octadecyl-benzamide CAS Name: 2-(hydroxymethyl)-5-nitro-N-octadecylbenzamide IUPAC Name: 2-(hydroxymethyl)-5-nitro-N-octadecylbenzamide Traditional Name: 2-methylol-5-nitro-N-stearyl-benzamide Formula: C26H44N2O4 MolecularWeight: 448.63856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-26(30)25-21-24(28(31)32)19-18-23(25)22-29/h18-19,21,29H,2-17,20,22H2,1H3,(H,27,30)