N-hexadecyl-3-nitro-2-oxidanyl-benzamide

Systemtic Name: N-hexadecyl-3-nitro-2-oxidanyl-benzamide Openeye Name: N-hexadecyl-2-hydroxy-3-nitro-benzamide CAS Name: N-hexadecyl-2-hydroxy-3-nitrobenzamide IUPAC Name: N-hexadecyl-2-hydroxy-3-nitrobenzamide Traditional Name: N-cetyl-2-hydroxy-3-nitro-benzamide Formula: C23H38N2O4 MolecularWeight: 406.55882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-23(27)20-17-16-18-21(22(20)26)25(28)29/h16-18,26H,2-15,19H2,1H3,(H,24,27)