O1-ethyl O5-methyl (4E)-4-[(4,5-dimethoxy-2-nitro-phenyl)methylidene]-2-nitro-pentanedioate

Systemtic Name: O1-ethyl O5-methyl (4E)-4-[(4,5-dimethoxy-2-nitro-phenyl)methylidene]-2-nitro-pentanedioate Openeye Name: O1-ethyl O5-methyl (4E)-4-[(4,5-dimethoxy-2-nitro-phenyl)methylene]-2-nitro-pentanedioate CAS Name: (4E)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-2-nitropentanedioic acid O1-ethyl ester O5-methyl ester IUPAC Name: 1-O-ethyl 5-O-methyl (4E)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-2-nitropentanedioate Traditional Name: (4E)-4-(4,5-dimethoxy-2-nitro-benzylidene)-2-nitro-glutaric acid O1-ethyl ester O5-methyl ester Formula: C17H20N2O10 MolecularWeight: 412.3481

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=CC1=CC(=C(C=C1[N+](=O)[O-])OC)OC)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C/C(=C\C1=CC(=C(C=C1[N+](=O)[O-])OC)OC)/C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O10/c1-5-29-17(21)13(19(24)25)7-11(16(20)28-4)6-10-8-14(26-2)15(27-3)9-12(10)18(22)23/h6,8-9,13H,5,7H2,1-4H3/b11-6+