N-[2-(hydroxymethyl)octadecyl]-3-nitro-benzamide

Systemtic Name: N-[2-(hydroxymethyl)octadecyl]-3-nitro-benzamide Openeye Name: N-[2-(hydroxymethyl)octadecyl]-3-nitro-benzamide CAS Name: N-[2-(hydroxymethyl)octadecyl]-3-nitrobenzamide IUPAC Name: N-[2-(hydroxymethyl)octadecyl]-3-nitrobenzamide Traditional Name: N-(2-methyloloctadecyl)-3-nitro-benzamide Formula: C26H44N2O4 MolecularWeight: 448.63856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])CO

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])CO

InChI

InChI=1S/C26H44N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-23(22-29)21-27-26(30)24-18-16-19-25(20-24)28(31)32/h16,18-20,23,29H,2-15,17,21-22H2,1H3,(H,27,30)