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

Systemtic Name: 3-(cyanomethyl)-4,6-diethyl-2-nitro-benzenecarbonitrile Openeye Name: 3-(cyanomethyl)-4,6-diethyl-2-nitro-benzonitrile CAS Name: 3-(cyanomethyl)-4,6-diethyl-2-nitrobenzonitrile IUPAC Name: 3-(cyanomethyl)-4,6-diethyl-2-nitrobenzonitrile Traditional Name: 3-(cyanomethyl)-4,6-diethyl-2-nitro-benzonitrile Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1C#N)[N+](=O)[O-])CC#N)CC

Isomeric SMILES

CCC1=CC(=C(C(=C1C#N)[N+](=O)[O-])CC#N)CC

InChI

InChI=1S/C13H13N3O2/c1-3-9-7-10(4-2)12(8-15)13(16(17)18)11(9)5-6-14/h7H,3-5H2,1-2H3