3-(cyanomethyl)-5-nitro-2-propyl-benzenecarbonitrile

Systemtic Name: 3-(cyanomethyl)-5-nitro-2-propyl-benzenecarbonitrile Openeye Name: 3-(cyanomethyl)-5-nitro-2-propyl-benzonitrile CAS Name: 3-(cyanomethyl)-5-nitro-2-propylbenzonitrile IUPAC Name: 3-(cyanomethyl)-5-nitro-2-propylbenzonitrile Traditional Name: 3-(cyanomethyl)-5-nitro-2-propyl-benzonitrile Formula: C12H11N3O2 MolecularWeight: 229.23464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1C#N)[N+](=O)[O-])CC#N

Isomeric SMILES

CCCC1=C(C=C(C=C1C#N)[N+](=O)[O-])CC#N

InChI

InChI=1S/C12H11N3O2/c1-2-3-12-9(4-5-13)6-11(15(16)17)7-10(12)8-14/h6-7H,2-4H2,1H3