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

Systemtic Name: 6-[3-[(3,5-dimethylphenyl)amino]-4-nitro-phenoxy]hexanoic acid Openeye Name: 6-[3-(3,5-dimethylanilino)-4-nitro-phenoxy]hexanoic acid CAS Name: 6-[3-(3,5-dimethylanilino)-4-nitrophenoxy]hexanoic acid IUPAC Name: 6-[3-(3,5-dimethylanilino)-4-nitrophenoxy]hexanoic acid Traditional Name: 6-[3-(3,5-dimethylanilino)-4-nitro-phenoxy]hexanoic acid Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5/c1-14-10-15(2)12-16(11-14)21-18-13-17(7-8-19(18)22(25)26)27-9-5-3-4-6-20(23)24/h7-8,10-13,21H,3-6,9H2,1-2H3,(H,23,24)