(2-decanoyl-4,6-dinitro-phenyl) (E)-but-2-enoate

Systemtic Name: (2-decanoyl-4,6-dinitro-phenyl) (E)-but-2-enoate Openeye Name: (2-decanoyl-4,6-dinitro-phenyl) (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [2,4-dinitro-6-(1-oxodecyl)phenyl] ester IUPAC Name: (2-decanoyl-4,6-dinitrophenyl) (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid (2-capryl-4,6-dinitro-phenyl) ester Formula: C20H26N2O7 MolecularWeight: 406.42964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCC(=O)C1=CC(=CC(=C1OC(=O)/C=C/C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H26N2O7/c1-3-5-6-7-8-9-10-12-18(23)16-13-15(21(25)26)14-17(22(27)28)20(16)29-19(24)11-4-2/h4,11,13-14H,3,5-10,12H2,1-2H3/b11-4+