2-[3-(cyanomethyl)-2,4,6-trimethyl-5-nitro-phenyl]ethanenitrile

Systemtic Name: 2-[3-(cyanomethyl)-2,4,6-trimethyl-5-nitro-phenyl]ethanenitrile Openeye Name: 2-[3-(cyanomethyl)-2,4,6-trimethyl-5-nitro-phenyl]acetonitrile CAS Name: 2-[3-(cyanomethyl)-2,4,6-trimethyl-5-nitrophenyl]acetonitrile IUPAC Name: 2-[3-(cyanomethyl)-2,4,6-trimethyl-5-nitrophenyl]acetonitrile Traditional Name: 2-[3-(cyanomethyl)-2,4,6-trimethyl-5-nitro-phenyl]acetonitrile Formula: C13H13N3O2 MolecularWeight: 243.26122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1CC#N)C)[N+](=O)[O-])C)CC#N

Isomeric SMILES

CC1=C(C(=C(C(=C1CC#N)C)[N+](=O)[O-])C)CC#N

InChI

InChI=1S/C13H13N3O2/c1-8-11(4-6-14)9(2)13(16(17)18)10(3)12(8)5-7-15/h4-5H2,1-3H3