1-(2,3,6-trimethoxy-5-nitro-phenyl)propan-2-yl 5-chloranyl-2,4-bis(oxidanyl)benzoate

Systemtic Name: 1-(2,3,6-trimethoxy-5-nitro-phenyl)propan-2-yl 5-chloranyl-2,4-bis(oxidanyl)benzoate Openeye Name: [1-methyl-2-(2,3,6-trimethoxy-5-nitro-phenyl)ethyl] 5-chloro-2,4-dihydroxy-benzoate CAS Name: 5-chloro-2,4-dihydroxybenzoic acid 1-(2,3,6-trimethoxy-5-nitrophenyl)propan-2-yl ester IUPAC Name: 1-(2,3,6-trimethoxy-5-nitrophenyl)propan-2-yl 5-chloro-2,4-dihydroxybenzoate Traditional Name: 5-chloro-2,4-dihydroxy-benzoic acid [1-methyl-2-(2,3,6-trimethoxy-5-nitro-phenyl)ethyl] ester Formula: C19H20ClNO9 MolecularWeight: 441.8164

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C(=CC(=C1OC)OC)[N+](=O)[O-])OC)OC(=O)C2=CC(=C(C=C2O)O)Cl

Isomeric SMILES

CC(CC1=C(C(=CC(=C1OC)OC)[N+](=O)[O-])OC)OC(=O)C2=CC(=C(C=C2O)O)Cl

InChI

InChI=1S/C19H20ClNO9/c1-9(30-19(24)10-6-12(20)15(23)8-14(10)22)5-11-17(28-3)13(21(25)26)7-16(27-2)18(11)29-4/h6-9,22-23H,5H2,1-4H3