diethyl 2-[(E)-2-(4-methoxyphenyl)-1-nitro-ethenyl]-2-oxidanyl-propanedioate

Systemtic Name: diethyl 2-[(E)-2-(4-methoxyphenyl)-1-nitro-ethenyl]-2-oxidanyl-propanedioate Openeye Name: diethyl 2-hydroxy-2-[(E)-2-(4-methoxyphenyl)-1-nitro-vinyl]propanedioate CAS Name: 2-hydroxy-2-[(E)-2-(4-methoxyphenyl)-1-nitroethenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-hydroxy-2-[(E)-2-(4-methoxyphenyl)-1-nitroethenyl]propanedioate Traditional Name: 2-hydroxy-2-[(E)-2-(4-methoxyphenyl)-1-nitro-vinyl]malonic acid diethyl ester Formula: C16H19NO8 MolecularWeight: 353.32396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO8/c1-4-24-14(18)16(20,15(19)25-5-2)13(17(21)22)10-11-6-8-12(23-3)9-7-11/h6-10,20H,4-5H2,1-3H3/b13-10+