diethyl 2-[(E)-1-nitro-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-oxidanyl-propanedioate

Systemtic Name: diethyl 2-[(E)-1-nitro-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-oxidanyl-propanedioate Openeye Name: diethyl 2-hydroxy-2-[(E)-1-nitro-2-(3,4,5-trimethoxyphenyl)vinyl]propanedioate CAS Name: 2-hydroxy-2-[(E)-1-nitro-2-(3,4,5-trimethoxyphenyl)ethenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-hydroxy-2-[(E)-1-nitro-2-(3,4,5-trimethoxyphenyl)ethenyl]propanedioate Traditional Name: 2-hydroxy-2-[(E)-1-nitro-2-(3,4,5-trimethoxyphenyl)vinyl]malonic acid diethyl ester Formula: C18H23NO10 MolecularWeight: 413.37592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO10/c1-6-28-16(20)18(22,17(21)29-7-2)14(19(23)24)10-11-8-12(25-3)15(27-5)13(9-11)26-4/h8-10,22H,6-7H2,1-5H3/b14-10+