diethyl 2-acetamido-2-[[5-[(E)-dec-1-enyl]-2-nitro-phenyl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[5-[(E)-dec-1-enyl]-2-nitro-phenyl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[[5-[(E)-dec-1-enyl]-2-nitro-phenyl]methyl]propanedioate CAS Name: 2-acetamido-2-[[5-[(E)-dec-1-enyl]-2-nitrophenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[5-[(E)-dec-1-enyl]-2-nitrophenyl]methyl]propanedioate Traditional Name: 2-acetamido-2-[5-[(E)-dec-1-enyl]-2-nitro-benzyl]malonic acid diethyl ester Formula: C26H38N2O7 MolecularWeight: 490.58912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CC1=CC(=C(C=C1)[N+](=O)[O-])CC(C(=O)OCC)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCCCCCCC/C=C/C1=CC(=C(C=C1)[N+](=O)[O-])CC(C(=O)OCC)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C26H38N2O7/c1-5-8-9-10-11-12-13-14-15-21-16-17-23(28(32)33)22(18-21)19-26(27-20(4)29,24(30)34-6-2)25(31)35-7-3/h14-18H,5-13,19H2,1-4H3,(H,27,29)/b15-14+