diethyl 2-[(E)-1-nitrooct-2-enyl]-2-oxidanyl-propanedioate

Systemtic Name: diethyl 2-[(E)-1-nitrooct-2-enyl]-2-oxidanyl-propanedioate Openeye Name: diethyl 2-hydroxy-2-[(E)-1-nitrooct-2-enyl]propanedioate CAS Name: 2-hydroxy-2-[(E)-1-nitrooct-2-enyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-hydroxy-2-[(E)-1-nitrooct-2-enyl]propanedioate Traditional Name: 2-hydroxy-2-[(E)-1-nitrooct-2-enyl]malonic acid diethyl ester Formula: C15H25NO7 MolecularWeight: 331.3615

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25NO7/c1-4-7-8-9-10-11-12(16(20)21)15(19,13(17)22-5-2)14(18)23-6-3/h10-12,19H,4-9H2,1-3H3/b11-10+