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

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

Systemtic Name:6-[4-nitro-3-[(4-phenylmethoxyphenyl)amino]phenoxy]hexanoic acid
Openeye Name:6-[3-(4-benzyloxyanilino)-4-nitro-phenoxy]hexanoic acid
CAS Name:6-[4-nitro-3-(4-phenylmethoxyanilino)phenoxy]hexanoic acid
IUPAC Name:6-[4-nitro-3-(4-phenylmethoxyanilino)phenoxy]hexanoic acid
Traditional Name:6-[3-(4-benzoxyanilino)-4-nitro-phenoxy]hexanoic acid
Formula: C25H26N2O6
MolecularWeight: 450.48374
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=C(C=CC(=C3)OCCCCCC(=O)O)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=C(C=CC(=C3)OCCCCCC(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C25H26N2O6/c28-25(29)9-5-2-6-16-32-22-14-15-24(27(30)31)23(17-22)26-20-10-12-21(13-11-20)33-18-19-7-3-1-4-8-19/h1,3-4,7-8,10-15,17,26H,2,5-6,9,16,18H2,(H,28,29)


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