5-(dimethylamino)-2-nitro-4-octoxy-benzoic acid

Systemtic Name: 5-(dimethylamino)-2-nitro-4-octoxy-benzoic acid Openeye Name: 5-(dimethylamino)-2-nitro-4-octoxy-benzoic acid CAS Name: 5-(dimethylamino)-2-nitro-4-octoxybenzoic acid IUPAC Name: 5-(dimethylamino)-2-nitro-4-octoxybenzoic acid Traditional Name: 5-(dimethylamino)-2-nitro-4-octoxy-benzoic acid Formula: C17H26N2O5 MolecularWeight: 338.39874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O)N(C)C

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O)N(C)C

InChI

InChI=1S/C17H26N2O5/c1-4-5-6-7-8-9-10-24-16-12-14(19(22)23)13(17(20)21)11-15(16)18(2)3/h11-12H,4-10H2,1-3H3,(H,20,21)