diethyl 2-[2-[3-nitro-4-[(E)-oct-1-enyl]phenyl]ethyl]-2-oxidanyl-propanedioate

Systemtic Name: diethyl 2-[2-[3-nitro-4-[(E)-oct-1-enyl]phenyl]ethyl]-2-oxidanyl-propanedioate Openeye Name: diethyl 2-hydroxy-2-[2-[3-nitro-4-[(E)-oct-1-enyl]phenyl]ethyl]propanedioate CAS Name: 2-hydroxy-2-[2-[3-nitro-4-[(E)-oct-1-enyl]phenyl]ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-hydroxy-2-[2-[3-nitro-4-[(E)-oct-1-enyl]phenyl]ethyl]propanedioate Traditional Name: 2-hydroxy-2-[2-[3-nitro-4-[(E)-oct-1-enyl]phenyl]ethyl]malonic acid diethyl ester Formula: C23H33NO7 MolecularWeight: 435.51062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC1=C(C=C(C=C1)CCC(C(=O)OCC)(C(=O)OCC)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCC/C=C/C1=C(C=C(C=C1)CCC(C(=O)OCC)(C(=O)OCC)O)[N+](=O)[O-]

InChI

InChI=1S/C23H33NO7/c1-4-7-8-9-10-11-12-19-14-13-18(17-20(19)24(28)29)15-16-23(27,21(25)30-5-2)22(26)31-6-3/h11-14,17,27H,4-10,15-16H2,1-3H3/b12-11+