2-[[4-[4-(2-azanyl-5-nitro-4-octoxy-phenyl)phenyl]carbonyloxyphenyl]methoxycarbonyl]terephthalic acid

Systemtic Name: 2-[[4-[4-(2-azanyl-5-nitro-4-octoxy-phenyl)phenyl]carbonyloxyphenyl]methoxycarbonyl]terephthalic acid Openeye Name: 2-[[4-[4-(2-amino-5-nitro-4-octoxy-phenyl)benzoyl]oxyphenyl]methoxycarbonyl]terephthalic acid CAS Name: 2-[[4-[[4-(2-amino-5-nitro-4-octoxyphenyl)phenyl]-oxomethoxy]phenyl]methoxy-oxomethyl]terephthalic acid IUPAC Name: 2-[[4-[4-(2-amino-5-nitro-4-octoxyphenyl)benzoyl]oxyphenyl]methoxycarbonyl]terephthalic acid Traditional Name: 2-[4-[4-(2-amino-5-nitro-4-octoxy-phenyl)benzoyl]oxybenzyl]oxycarbonylterephthalic acid Formula: C37H36N2O11 MolecularWeight: 684.68854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C(=C1)N)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)COC(=O)C4=C(C=CC(=C4)C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C(=C1)N)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)COC(=O)C4=C(C=CC(=C4)C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C37H36N2O11/c1-2-3-4-5-6-7-18-48-33-21-31(38)29(20-32(33)39(46)47)24-10-12-25(13-11-24)36(44)50-27-15-8-23(9-16-27)22-49-37(45)30-19-26(34(40)41)14-17-28(30)35(42)43/h8-17,19-21H,2-7,18,22,38H2,1H3,(H,40,41)(H,42,43)