[2-(1,1-dinitrooctan-2-yl)phenyl] (E)-but-2-enoate

Systemtic Name: [2-(1,1-dinitrooctan-2-yl)phenyl] (E)-but-2-enoate Openeye Name: [2-[1-(dinitromethyl)heptyl]phenyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [2-(1,1-dinitrooctan-2-yl)phenyl] ester IUPAC Name: [2-(1,1-dinitrooctan-2-yl)phenyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-[1-(dinitromethyl)heptyl]phenyl] ester Formula: C18H24N2O6 MolecularWeight: 364.39296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O6/c1-3-5-6-7-12-15(18(19(22)23)20(24)25)14-11-8-9-13-16(14)26-17(21)10-4-2/h4,8-11,13,15,18H,3,5-7,12H2,1-2H3/b10-4+