2-[3-[4-(2-azanyl-5-nitro-4-octoxy-phenyl)phenyl]carbonyloxypropoxycarbonyl]terephthalic acid

Systemtic Name: 2-[3-[4-(2-azanyl-5-nitro-4-octoxy-phenyl)phenyl]carbonyloxypropoxycarbonyl]terephthalic acid Openeye Name: 2-[3-[4-(2-amino-5-nitro-4-octoxy-phenyl)benzoyl]oxypropoxycarbonyl]terephthalic acid CAS Name: 2-[3-[[4-(2-amino-5-nitro-4-octoxyphenyl)phenyl]-oxomethoxy]propoxy-oxomethyl]terephthalic acid IUPAC Name: 2-[3-[4-(2-amino-5-nitro-4-octoxyphenyl)benzoyl]oxypropoxycarbonyl]terephthalic acid Traditional Name: 2-[3-[4-(2-amino-5-nitro-4-octoxy-phenyl)benzoyl]oxypropoxycarbonyl]terephthalic acid Formula: C33H36N2O11 MolecularWeight: 636.64574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C(=C1)N)C2=CC=C(C=C2)C(=O)OCCCOC(=O)C3=C(C=CC(=C3)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)OCCCOC(=O)C3=C(C=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C33H36N2O11/c1-2-3-4-5-6-7-15-44-29-20-27(34)25(19-28(29)35(42)43)21-9-11-22(12-10-21)32(40)45-16-8-17-46-33(41)26-18-23(30(36)37)13-14-24(26)31(38)39/h9-14,18-20H,2-8,15-17,34H2,1H3,(H,36,37)(H,38,39)