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

Systemtic Name: diethyl 2-azanyl-2-[2-[3-nitro-4-[(E)-oct-1-enyl]phenyl]ethyl]propanedioate Openeye Name: diethyl 2-amino-2-[2-[3-nitro-4-[(E)-oct-1-enyl]phenyl]ethyl]propanedioate CAS Name: 2-amino-2-[2-[3-nitro-4-[(E)-oct-1-enyl]phenyl]ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-amino-2-[2-[3-nitro-4-[(E)-oct-1-enyl]phenyl]ethyl]propanedioate Traditional Name: 2-amino-2-[2-[3-nitro-4-[(E)-oct-1-enyl]phenyl]ethyl]malonic acid diethyl ester Formula: C23H34N2O6 MolecularWeight: 434.52586

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O6/c1-4-7-8-9-10-11-12-19-14-13-18(17-20(19)25(28)29)15-16-23(24,21(26)30-5-2)22(27)31-6-3/h11-14,17H,4-10,15-16,24H2,1-3H3/b12-11+