(3,4-dinitro-2-octan-2-yl-phenyl) (E)-but-2-enoate

Systemtic Name: (3,4-dinitro-2-octan-2-yl-phenyl) (E)-but-2-enoate Openeye Name: [2-(1-methylheptyl)-3,4-dinitro-phenyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid (3,4-dinitro-2-octan-2-ylphenyl) ester IUPAC Name: (3,4-dinitro-2-octan-2-ylphenyl) (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-(1-methylheptyl)-3,4-dinitro-phenyl] ester Formula: C18H24N2O6 MolecularWeight: 364.39296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=C(C=CC(=C1[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=CC

Isomeric SMILES

CCCCCCC(C)C1=C(C=CC(=C1[N+](=O)[O-])[N+](=O)[O-])OC(=O)/C=C/C

InChI

InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)17-15(26-16(21)9-5-2)12-11-14(19(22)23)18(17)20(24)25/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+