[(E)-2-methyl-2-nitro-7-phenyl-hept-6-en-3-yl] ethanoate

Systemtic Name: [(E)-2-methyl-2-nitro-7-phenyl-hept-6-en-3-yl] ethanoate Openeye Name: [(E)-1-(1-methyl-1-nitro-ethyl)-5-phenyl-pent-4-enyl] acetate CAS Name: acetic acid [(E)-2-methyl-2-nitro-7-phenylhept-6-en-3-yl] ester IUPAC Name: [(E)-2-methyl-2-nitro-7-phenylhept-6-en-3-yl] acetate Traditional Name: acetic acid [(E)-1-(1-methyl-1-nitro-ethyl)-5-phenyl-pent-4-enyl] ester Formula: C16H21NO4 MolecularWeight: 291.34224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCC=CC1=CC=CC=C1)C(C)(C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-13(18)21-15(16(2,3)17(19)20)12-8-7-11-14-9-5-4-6-10-14/h4-7,9-11,15H,8,12H2,1-3H3/b11-7+