phenyl (2Z)-3-(dinitromethyl)-2-ethylidene-nonanoate

Systemtic Name: phenyl (2Z)-3-(dinitromethyl)-2-ethylidene-nonanoate Openeye Name: phenyl (2Z)-3-(dinitromethyl)-2-ethylidene-nonanoate CAS Name: (2Z)-3-(dinitromethyl)-2-ethylidenenonanoic acid phenyl ester IUPAC Name: phenyl (2Z)-3-(dinitromethyl)-2-ethylidenenonanoate Traditional Name: (Z)-2-[1-(dinitromethyl)heptyl]but-2-enoic acid phenyl ester Formula: C18H24N2O6 MolecularWeight: 364.39296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C([N+](=O)[O-])[N+](=O)[O-])C(=CC)C(=O)OC1=CC=CC=C1

Isomeric SMILES

CCCCCCC(C([N+](=O)[O-])[N+](=O)[O-])/C(=C/C)/C(=O)OC1=CC=CC=C1

InChI

InChI=1S/C18H24N2O6/c1-3-5-6-10-13-16(17(19(22)23)20(24)25)15(4-2)18(21)26-14-11-8-7-9-12-14/h4,7-9,11-12,16-17H,3,5-6,10,13H2,1-2H3/b15-4-