6-[5-[(3,4-dimethylphenyl)amino]-2,4-dinitro-phenoxy]hexanoic acid

Systemtic Name: 6-[5-[(3,4-dimethylphenyl)amino]-2,4-dinitro-phenoxy]hexanoic acid Openeye Name: 6-[5-(3,4-dimethylanilino)-2,4-dinitro-phenoxy]hexanoic acid CAS Name: 6-[5-(3,4-dimethylanilino)-2,4-dinitrophenoxy]hexanoic acid IUPAC Name: 6-[5-(3,4-dimethylanilino)-2,4-dinitrophenoxy]hexanoic acid Traditional Name: 6-[5-(3,4-dimethylanilino)-2,4-dinitro-phenoxy]hexanoic acid Formula: C20H23N3O7 MolecularWeight: 417.41252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OCCCCCC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])OCCCCCC(=O)O)C

InChI

InChI=1S/C20H23N3O7/c1-13-7-8-15(10-14(13)2)21-16-11-19(30-9-5-3-4-6-20(24)25)18(23(28)29)12-17(16)22(26)27/h7-8,10-12,21H,3-6,9H2,1-2H3,(H,24,25)