3,5-dinitrooctan-2-yl (E)-2-phenylbut-2-enoate

Systemtic Name: 3,5-dinitrooctan-2-yl (E)-2-phenylbut-2-enoate Openeye Name: (1-methyl-2,4-dinitro-heptyl) (E)-2-phenylbut-2-enoate CAS Name: (E)-2-phenyl-2-butenoic acid 3,5-dinitrooctan-2-yl ester IUPAC Name: 3,5-dinitrooctan-2-yl (E)-2-phenylbut-2-enoate Traditional Name: (E)-2-phenylbut-2-enoic acid (1-methyl-2,4-dinitro-heptyl) ester Formula: C18H24N2O6 MolecularWeight: 364.39296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O6/c1-4-9-15(19(22)23)12-17(20(24)25)13(3)26-18(21)16(5-2)14-10-7-6-8-11-14/h5-8,10-11,13,15,17H,4,9,12H2,1-3H3/b16-5+