(2,3,6-trimethoxy-5-nitro-phenyl)methyl 5-chloranyl-2,4-bis(oxidanyl)benzoate

Systemtic Name: (2,3,6-trimethoxy-5-nitro-phenyl)methyl 5-chloranyl-2,4-bis(oxidanyl)benzoate Openeye Name: (2,3,6-trimethoxy-5-nitro-phenyl)methyl 5-chloro-2,4-dihydroxy-benzoate CAS Name: 5-chloro-2,4-dihydroxybenzoic acid (2,3,6-trimethoxy-5-nitrophenyl)methyl ester IUPAC Name: (2,3,6-trimethoxy-5-nitrophenyl)methyl 5-chloro-2,4-dihydroxybenzoate Traditional Name: 5-chloro-2,4-dihydroxy-benzoic acid (2,3,6-trimethoxy-5-nitro-benzyl) ester Formula: C17H16ClNO9 MolecularWeight: 413.76324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)[N+](=O)[O-])OC)COC(=O)C2=CC(=C(C=C2O)O)Cl)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)[N+](=O)[O-])OC)COC(=O)C2=CC(=C(C=C2O)O)Cl)OC

InChI

InChI=1S/C17H16ClNO9/c1-25-14-5-11(19(23)24)15(26-2)9(16(14)27-3)7-28-17(22)8-4-10(18)13(21)6-12(8)20/h4-6,20-21H,7H2,1-3H3