3-(cyanomethyl)-4-nitro-2,6-dipropyl-benzenecarbonitrile

Systemtic Name: 3-(cyanomethyl)-4-nitro-2,6-dipropyl-benzenecarbonitrile Openeye Name: 3-(cyanomethyl)-4-nitro-2,6-dipropyl-benzonitrile CAS Name: 3-(cyanomethyl)-4-nitro-2,6-dipropylbenzonitrile IUPAC Name: 3-(cyanomethyl)-4-nitro-2,6-dipropylbenzonitrile Traditional Name: 3-(cyanomethyl)-4-nitro-2,6-dipropyl-benzonitrile Formula: C15H17N3O2 MolecularWeight: 271.31438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O2/c1-3-5-11-9-15(18(19)20)13(7-8-16)12(6-4-2)14(11)10-17/h9H,3-7H2,1-2H3