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

Systemtic Name: 6-[3-[(3,4-dimethoxyphenyl)amino]-4-nitro-phenoxy]hexanoic acid Openeye Name: 6-[3-(3,4-dimethoxyanilino)-4-nitro-phenoxy]hexanoic acid CAS Name: 6-[3-(3,4-dimethoxyanilino)-4-nitrophenoxy]hexanoic acid IUPAC Name: 6-[3-(3,4-dimethoxyanilino)-4-nitrophenoxy]hexanoic acid Traditional Name: 6-[3-(3,4-dimethoxyanilino)-4-nitro-phenoxy]hexanoic acid Formula: C20H24N2O7 MolecularWeight: 404.41376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=C(C=CC(=C2)OCCCCCC(=O)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=C(C=CC(=C2)OCCCCCC(=O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C20H24N2O7/c1-27-18-10-7-14(12-19(18)28-2)21-16-13-15(8-9-17(16)22(25)26)29-11-5-3-4-6-20(23)24/h7-10,12-13,21H,3-6,11H2,1-2H3,(H,23,24)