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

Systemtic Name: 1-(2,3,6-trimethoxy-5-nitro-phenyl)propan-2-yl 2-but-3-enyl-3-chloranyl-4,6-bis(oxidanyl)benzoate Openeye Name: [1-methyl-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 1-(2,3,6-trimethoxy-5-nitrophenyl)propan-2-yl ester IUPAC Name: 1-(2,3,6-trimethoxy-5-nitrophenyl)propan-2-yl 2-but-3-enyl-3-chloro-4,6-dihydroxybenzoate Traditional Name: 2-but-3-enyl-3-chloro-4,6-dihydroxy-benzoic acid [1-methyl-2-(2,3,6-trimethoxy-5-nitro-phenyl)ethyl] ester Formula: C23H26ClNO9 MolecularWeight: 495.90684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClNO9/c1-6-7-8-13-19(16(26)11-17(27)20(13)24)23(28)34-12(2)9-14-21(32-4)15(25(29)30)10-18(31-3)22(14)33-5/h6,10-12,26-27H,1,7-9H2,2-5H3