2-[[4-(4-cyclooctyloxyphenoxy)-3-nitro-phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-(4-cyclooctyloxyphenoxy)-3-nitro-phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[4-[4-(cyclooctoxy)phenoxy]-3-nitro-benzoyl]amino]benzoic acid CAS Name: 2-[[[4-(4-cyclooctyloxyphenoxy)-3-nitrophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-(4-cyclooctyloxyphenoxy)-3-nitrobenzoyl]amino]benzoic acid Traditional Name: 2-[[4-[4-(cyclooctoxy)phenoxy]-3-nitro-benzoyl]amino]benzoic acid Formula: C28H28N2O7 MolecularWeight: 504.53112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)OC2=CC=C(C=C2)OC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CCC1)OC2=CC=C(C=C2)OC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C28H28N2O7/c31-27(29-24-11-7-6-10-23(24)28(32)33)19-12-17-26(25(18-19)30(34)35)37-22-15-13-21(14-16-22)36-20-8-4-2-1-3-5-9-20/h6-7,10-18,20H,1-5,8-9H2,(H,29,31)(H,32,33)