methyl 4-[4-[(4,5-dimethoxy-2-nitro-phenyl)methoxy]-3,5-dimethyl-phenyl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[4-[(4,5-dimethoxy-2-nitro-phenyl)methoxy]-3,5-dimethyl-phenyl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-[(4,5-dimethoxy-2-nitro-phenyl)methoxy]-3,5-dimethyl-phenyl]-4-oxo-butanoate CAS Name: 4-[4-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-3,5-dimethylphenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-3,5-dimethylphenyl]-4-oxobutanoate Traditional Name: 4-[4-(4,5-dimethoxy-2-nitro-benzyl)oxy-3,5-dimethyl-phenyl]-4-keto-butyric acid methyl ester Formula: C22H25NO8 MolecularWeight: 431.4358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C)C(=O)CCC(=O)OC

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C)C(=O)CCC(=O)OC

InChI

InChI=1S/C22H25NO8/c1-13-8-15(18(24)6-7-21(25)30-5)9-14(2)22(13)31-12-16-10-19(28-3)20(29-4)11-17(16)23(26)27/h8-11H,6-7,12H2,1-5H3