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4-[(5-nitro-2-phenethyl-phenoxy)methyl]benzoic acid

4-[(5-nitro-2-phenethyl-phenoxy)methyl]benzoic acid

Systemtic Name:4-[(5-nitro-2-phenethyl-phenoxy)methyl]benzoic acid
Openeye Name:4-[(5-nitro-2-phenethyl-phenoxy)methyl]benzoic acid
CAS Name:4-[(5-nitro-2-phenethylphenoxy)methyl]benzoic acid
IUPAC Name:4-[(5-nitro-2-phenethylphenoxy)methyl]benzoic acid
Traditional Name:4-[(5-nitro-2-phenethyl-phenoxy)methyl]benzoic acid
Formula: C22H19NO5
MolecularWeight: 377.38996
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C=C(C=C2)[N+](=O)[O-])OCC3=CC=C(C=C3)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C=C(C=C2)[N+](=O)[O-])OCC3=CC=C(C=C3)C(=O)O


InChI

InChI=1S/C22H19NO5/c24-22(25)19-10-7-17(8-11-19)15-28-21-14-20(23(26)27)13-12-18(21)9-6-16-4-2-1-3-5-16/h1-5,7-8,10-14H,6,9,15H2,(H,24,25)


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