5-chloranyl-3-nitro-N-octadecyl-2-oxidanyl-benzamide

Systemtic Name: 5-chloranyl-3-nitro-N-octadecyl-2-oxidanyl-benzamide Openeye Name: 5-chloro-2-hydroxy-3-nitro-N-octadecyl-benzamide CAS Name: 5-chloro-2-hydroxy-3-nitro-N-octadecylbenzamide IUPAC Name: 5-chloro-2-hydroxy-3-nitro-N-octadecylbenzamide Traditional Name: 5-chloro-2-hydroxy-3-nitro-N-stearyl-benzamide Formula: C25H41ClN2O4 MolecularWeight: 469.05704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC(=CC(=C1O)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC(=CC(=C1O)[N+](=O)[O-])Cl

InChI

InChI=1S/C25H41ClN2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-25(30)22-19-21(26)20-23(24(22)29)28(31)32/h19-20,29H,2-18H2,1H3,(H,27,30)