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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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