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

Systemtic Name: diethyl 2-[2-[3-nitro-4-[(E)-oct-1-enyl]phenyl]ethyl]propanedioate Openeye Name: diethyl 2-[2-[3-nitro-4-[(E)-oct-1-enyl]phenyl]ethyl]propanedioate CAS Name: 2-[2-[3-nitro-4-[(E)-oct-1-enyl]phenyl]ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-[3-nitro-4-[(E)-oct-1-enyl]phenyl]ethyl]propanedioate Traditional Name: 2-[2-[3-nitro-4-[(E)-oct-1-enyl]phenyl]ethyl]malonic acid diethyl ester Formula: C23H33NO6 MolecularWeight: 419.51122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO6/c1-4-7-8-9-10-11-12-19-15-13-18(17-21(19)24(27)28)14-16-20(22(25)29-5-2)23(26)30-6-3/h11-13,15,17,20H,4-10,14,16H2,1-3H3/b12-11+