5-hexyl-N-[(4-methyl-3-nitro-phenyl)methyl]-2-oxidanyl-benzamide

Systemtic Name: 5-hexyl-N-[(4-methyl-3-nitro-phenyl)methyl]-2-oxidanyl-benzamide Openeye Name: 5-hexyl-2-hydroxy-N-[(4-methyl-3-nitro-phenyl)methyl]benzamide CAS Name: 5-hexyl-2-hydroxy-N-[(4-methyl-3-nitrophenyl)methyl]benzamide IUPAC Name: 5-hexyl-2-hydroxy-N-[(4-methyl-3-nitrophenyl)methyl]benzamide Traditional Name: 5-hexyl-2-hydroxy-N-(4-methyl-3-nitro-benzyl)benzamide Formula: C21H26N2O4 MolecularWeight: 370.44214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)O)C(=O)NCC2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)O)C(=O)NCC2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O4/c1-3-4-5-6-7-16-10-11-20(24)18(12-16)21(25)22-14-17-9-8-15(2)19(13-17)23(26)27/h8-13,24H,3-7,14H2,1-2H3,(H,22,25)