methyl 2-[[4-(4-cyclooctyloxyphenoxy)-3-nitro-phenyl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[4-(4-cyclooctyloxyphenoxy)-3-nitro-phenyl]carbonylamino]benzoate Openeye Name: methyl 2-[[4-[4-(cyclooctoxy)phenoxy]-3-nitro-benzoyl]amino]benzoate CAS Name: 2-[[[4-(4-cyclooctyloxyphenoxy)-3-nitrophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-cyclooctyloxyphenoxy)-3-nitrobenzoyl]amino]benzoate Traditional Name: 2-[[4-[4-(cyclooctoxy)phenoxy]-3-nitro-benzoyl]amino]benzoic acid methyl ester Formula: C29H30N2O7 MolecularWeight: 518.5577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)OC4CCCCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)OC4CCCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C29H30N2O7/c1-36-29(33)24-11-7-8-12-25(24)30-28(32)20-13-18-27(26(19-20)31(34)35)38-23-16-14-22(15-17-23)37-21-9-5-3-2-4-6-10-21/h7-8,11-19,21H,2-6,9-10H2,1H3,(H,30,32)