diethyl 2-[(E)-4-methyl-1-nitro-pent-2-enyl]-2-oxidanyl-propanedioate

Systemtic Name: diethyl 2-[(E)-4-methyl-1-nitro-pent-2-enyl]-2-oxidanyl-propanedioate Openeye Name: diethyl 2-hydroxy-2-[(E)-4-methyl-1-nitro-pent-2-enyl]propanedioate CAS Name: 2-hydroxy-2-[(E)-4-methyl-1-nitropent-2-enyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-hydroxy-2-[(E)-4-methyl-1-nitropent-2-enyl]propanedioate Traditional Name: 2-hydroxy-2-[(E)-4-methyl-1-nitro-pent-2-enyl]malonic acid diethyl ester Formula: C13H21NO7 MolecularWeight: 303.30834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C(C(/C=C/C(C)C)[N+](=O)[O-])(C(=O)OCC)O

InChI

InChI=1S/C13H21NO7/c1-5-20-11(15)13(17,12(16)21-6-2)10(14(18)19)8-7-9(3)4/h7-10,17H,5-6H2,1-4H3/b8-7+