N-heptan-2-yl-N-(2-methyl-2-oxidanyl-propyl)-4-nitro-benzamide

Systemtic Name: N-heptan-2-yl-N-(2-methyl-2-oxidanyl-propyl)-4-nitro-benzamide Openeye Name: N-(2-hydroxy-2-methyl-propyl)-N-(1-methylhexyl)-4-nitro-benzamide CAS Name: N-heptan-2-yl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide IUPAC Name: N-heptan-2-yl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide Traditional Name: N-(2-hydroxy-2-methyl-propyl)-N-(1-methylhexyl)-4-nitro-benzamide Formula: C18H28N2O4 MolecularWeight: 336.42592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4/c1-5-6-7-8-14(2)19(13-18(3,4)22)17(21)15-9-11-16(12-10-15)20(23)24/h9-12,14,22H,5-8,13H2,1-4H3