N-[2-(dodecylamino)ethyl]-5-nitro-2-oxidanyl-benzamide

Systemtic Name: N-[2-(dodecylamino)ethyl]-5-nitro-2-oxidanyl-benzamide Openeye Name: N-[2-(dodecylamino)ethyl]-2-hydroxy-5-nitro-benzamide CAS Name: N-[2-(dodecylamino)ethyl]-2-hydroxy-5-nitrobenzamide IUPAC Name: N-[2-(dodecylamino)ethyl]-2-hydroxy-5-nitrobenzamide Traditional Name: 2-hydroxy-N-[2-(laurylamino)ethyl]-5-nitro-benzamide Formula: C21H35N3O4 MolecularWeight: 393.5203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O4/c1-2-3-4-5-6-7-8-9-10-11-14-22-15-16-23-21(26)19-17-18(24(27)28)12-13-20(19)25/h12-13,17,22,25H,2-11,14-16H2,1H3,(H,23,26)