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

Systemtic Name: 2-(2,3,6-trimethoxy-5-nitro-phenyl)ethyl 2-but-3-enyl-3-chloranyl-4,6-bis(oxidanyl)benzoate Openeye Name: 2-(2,3,6-trimethoxy-5-nitro-phenyl)ethyl 2-but-3-enyl-3-chloro-4,6-dihydroxy-benzoate CAS Name: 2-but-3-enyl-3-chloro-4,6-dihydroxybenzoic acid 2-(2,3,6-trimethoxy-5-nitrophenyl)ethyl ester IUPAC Name: 2-(2,3,6-trimethoxy-5-nitrophenyl)ethyl 2-but-3-enyl-3-chloro-4,6-dihydroxybenzoate Traditional Name: 2-but-3-enyl-3-chloro-4,6-dihydroxy-benzoic acid 2-(2,3,6-trimethoxy-5-nitro-phenyl)ethyl ester Formula: C22H24ClNO9 MolecularWeight: 481.88026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO9/c1-5-6-7-12-18(15(25)11-16(26)19(12)23)22(27)33-9-8-13-20(31-3)14(24(28)29)10-17(30-2)21(13)32-4/h5,10-11,25-26H,1,6-9H2,2-4H3