2-[4-(5-azanyl-2-nitro-4-octoxy-phenyl)phenyl]carbonyloxy-5-phenylmethoxycarbonyl-terephthalic acid

Systemtic Name: 2-[4-(5-azanyl-2-nitro-4-octoxy-phenyl)phenyl]carbonyloxy-5-phenylmethoxycarbonyl-terephthalic acid Openeye Name: 2-[4-(5-amino-2-nitro-4-octoxy-phenyl)benzoyl]oxy-5-benzyloxycarbonyl-terephthalic acid CAS Name: 2-[[4-(5-amino-2-nitro-4-octoxyphenyl)phenyl]-oxomethoxy]-5-phenylmethoxycarbonylterephthalic acid IUPAC Name: 2-[4-(5-amino-2-nitro-4-octoxyphenyl)benzoyl]oxy-5-phenylmethoxycarbonylterephthalic acid Traditional Name: 2-[4-(5-amino-2-nitro-4-octoxy-phenyl)benzoyl]oxy-5-carbobenzoxy-terephthalic acid Formula: C37H36N2O11 MolecularWeight: 684.68854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C2=CC=C(C=C2)C(=O)OC3=C(C=C(C(=C3)C(=O)O)C(=O)OCC4=CC=CC=C4)C(=O)O)N

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C2=CC=C(C=C2)C(=O)OC3=C(C=C(C(=C3)C(=O)O)C(=O)OCC4=CC=CC=C4)C(=O)O)N

InChI

InChI=1S/C37H36N2O11/c1-2-3-4-5-6-10-17-48-33-21-31(39(46)47)26(19-30(33)38)24-13-15-25(16-14-24)36(44)50-32-20-27(34(40)41)28(18-29(32)35(42)43)37(45)49-22-23-11-8-7-9-12-23/h7-9,11-16,18-21H,2-6,10,17,22,38H2,1H3,(H,40,41)(H,42,43)