4-acetamido-3-nitro-N-octadecyl-benzamide

Systemtic Name: 4-acetamido-3-nitro-N-octadecyl-benzamide Openeye Name: 4-acetamido-3-nitro-N-octadecyl-benzamide CAS Name: 4-acetamido-3-nitro-N-octadecylbenzamide IUPAC Name: 4-acetamido-3-nitro-N-octadecylbenzamide Traditional Name: 4-acetamido-3-nitro-N-stearyl-benzamide Formula: C27H45N3O4 MolecularWeight: 475.6639

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-27(32)24-19-20-25(29-23(2)31)26(22-24)30(33)34/h19-20,22H,3-18,21H2,1-2H3,(H,28,32)(H,29,31)