1-(2,4-dinitroimidazol-1-yl)butan-2-yl (E)-3-phenylprop-2-enoate

Systemtic Name: 1-(2,4-dinitroimidazol-1-yl)butan-2-yl (E)-3-phenylprop-2-enoate Openeye Name: 1-[(2,4-dinitroimidazol-1-yl)methyl]propyl (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid 1-(2,4-dinitro-1-imidazolyl)butan-2-yl ester IUPAC Name: 1-(2,4-dinitroimidazol-1-yl)butan-2-yl (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid 1-[(2,4-dinitroimidazol-1-yl)methyl]propyl ester Formula: C16H16N4O6 MolecularWeight: 360.32144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=C(N=C1[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCC(CN1C=C(N=C1[N+](=O)[O-])[N+](=O)[O-])OC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C16H16N4O6/c1-2-13(26-15(21)9-8-12-6-4-3-5-7-12)10-18-11-14(19(22)23)17-16(18)20(24)25/h3-9,11,13H,2,10H2,1H3/b9-8+