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

Systemtic Name: diethyl 2-[(E)-2-(3,4-dimethoxyphenyl)-1-nitro-ethenyl]-2-oxidanyl-propanedioate Openeye Name: diethyl 2-[(E)-2-(3,4-dimethoxyphenyl)-1-nitro-vinyl]-2-hydroxy-propanedioate CAS Name: 2-[(E)-2-(3,4-dimethoxyphenyl)-1-nitroethenyl]-2-hydroxypropanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-2-(3,4-dimethoxyphenyl)-1-nitroethenyl]-2-hydroxypropanedioate Traditional Name: 2-[(E)-2-(3,4-dimethoxyphenyl)-1-nitro-vinyl]-2-hydroxy-malonic acid diethyl ester Formula: C17H21NO9 MolecularWeight: 383.34994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO9/c1-5-26-15(19)17(21,16(20)27-6-2)14(18(22)23)10-11-7-8-12(24-3)13(9-11)25-4/h7-10,21H,5-6H2,1-4H3/b14-10+