[5-methoxy-4-(4-methoxy-4-oxidanylidene-butoxy)-2-nitro-phenyl]methyl 3-methoxy-4,5-bis(oxidanyl)benzoate

Systemtic Name: [5-methoxy-4-(4-methoxy-4-oxidanylidene-butoxy)-2-nitro-phenyl]methyl 3-methoxy-4,5-bis(oxidanyl)benzoate Openeye Name: [5-methoxy-4-(4-methoxy-4-oxo-butoxy)-2-nitro-phenyl]methyl 3,4-dihydroxy-5-methoxy-benzoate CAS Name: 3,4-dihydroxy-5-methoxybenzoic acid [5-methoxy-4-(4-methoxy-4-oxobutoxy)-2-nitrophenyl]methyl ester IUPAC Name: [5-methoxy-4-(4-methoxy-4-oxobutoxy)-2-nitrophenyl]methyl 3,4-dihydroxy-5-methoxybenzoate Traditional Name: 3,4-dihydroxy-5-methoxy-benzoic acid [4-(4-keto-4-methoxy-butoxy)-5-methoxy-2-nitro-benzyl] ester Formula: C21H23NO11 MolecularWeight: 465.40742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)O)C(=O)OCC2=CC(=C(C=C2[N+](=O)[O-])OCCCC(=O)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1O)O)C(=O)OCC2=CC(=C(C=C2[N+](=O)[O-])OCCCC(=O)OC)OC

InChI

InChI=1S/C21H23NO11/c1-29-16-9-13(11-33-21(26)12-7-15(23)20(25)18(8-12)30-2)14(22(27)28)10-17(16)32-6-4-5-19(24)31-3/h7-10,23,25H,4-6,11H2,1-3H3