2-[2-hexyl-5-[4-[[(2-methyl-3-nitro-phenyl)amino]methyl]phenoxy]phenoxy]ethanoic acid

Systemtic Name: 2-[2-hexyl-5-[4-[[(2-methyl-3-nitro-phenyl)amino]methyl]phenoxy]phenoxy]ethanoic acid Openeye Name: 2-[2-hexyl-5-[4-[(2-methyl-3-nitro-anilino)methyl]phenoxy]phenoxy]acetic acid CAS Name: 2-[2-hexyl-5-[4-[(2-methyl-3-nitroanilino)methyl]phenoxy]phenoxy]acetic acid IUPAC Name: 2-[2-hexyl-5-[4-[(2-methyl-3-nitroanilino)methyl]phenoxy]phenoxy]acetic acid Traditional Name: 2-[2-hexyl-5-[4-[(2-methyl-3-nitro-anilino)methyl]phenoxy]phenoxy]acetic acid Formula: C28H32N2O6 MolecularWeight: 492.56348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)OC2=CC=C(C=C2)CNC3=C(C(=CC=C3)[N+](=O)[O-])C)OCC(=O)O

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)OC2=CC=C(C=C2)CNC3=C(C(=CC=C3)[N+](=O)[O-])C)OCC(=O)O

InChI

InChI=1S/C28H32N2O6/c1-3-4-5-6-8-22-13-16-24(17-27(22)35-19-28(31)32)36-23-14-11-21(12-15-23)18-29-25-9-7-10-26(20(25)2)30(33)34/h7,9-17,29H,3-6,8,18-19H2,1-2H3,(H,31,32)