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4-(2-acetamido-5-nitro-4-octoxy-phenyl)benzoic acid

4-(2-acetamido-5-nitro-4-octoxy-phenyl)benzoic acid

Systemtic Name:4-(2-acetamido-5-nitro-4-octoxy-phenyl)benzoic acid
Openeye Name:4-(2-acetamido-5-nitro-4-octoxy-phenyl)benzoic acid
CAS Name:4-(2-acetamido-5-nitro-4-octoxyphenyl)benzoic acid
IUPAC Name:4-(2-acetamido-5-nitro-4-octoxyphenyl)benzoic acid
Traditional Name:4-(2-acetamido-5-nitro-4-octoxy-phenyl)benzoic acid
Formula: C23H28N2O6
MolecularWeight: 428.47822
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C(=C1)NC(=O)C)C2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]


Isomeric SMILES

CCCCCCCCOC1=C(C=C(C(=C1)NC(=O)C)C2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C23H28N2O6/c1-3-4-5-6-7-8-13-31-22-15-20(24-16(2)26)19(14-21(22)25(29)30)17-9-11-18(12-10-17)23(27)28/h9-12,14-15H,3-8,13H2,1-2H3,(H,24,26)(H,27,28)


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