N-methoxy-N-(4-methyl-2-nitro-phenyl)ethanamide; 1-(sulfinoamino)octadecane

Systemtic Name: N-methoxy-N-(4-methyl-2-nitro-phenyl)ethanamide; 1-(sulfinoamino)octadecane Openeye Name: N-methoxy-N-(4-methyl-2-nitro-phenyl)acetamide; 1-(sulfinoamino)octadecane CAS Name: N-methoxy-N-(4-methyl-2-nitrophenyl)acetamide; 1-(sulfinoamino)octadecane IUPAC Name: N-methoxy-N-(4-methyl-2-nitrophenyl)acetamide; 1-(sulfinoamino)octadecane Traditional Name: N-methoxy-N-(4-methyl-2-nitro-phenyl)acetamide; 1-(sulfinoamino)octadecane Formula: C28H51N3O6S MolecularWeight: 557.78604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNS(=O)O.CC1=CC(=C(C=C1)N(C(=O)C)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNS(=O)O.CC1=CC(=C(C=C1)N(C(=O)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H39NO2S.C10H12N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(20)21;1-7-4-5-9(10(6-7)12(14)15)11(16-3)8(2)13/h19H,2-18H2,1H3,(H,20,21);4-6H,1-3H3