3-(cyanomethyl)-2,6-diethyl-5-nitro-benzenecarbonitrile

Systemtic Name: 3-(cyanomethyl)-2,6-diethyl-5-nitro-benzenecarbonitrile Openeye Name: 3-(cyanomethyl)-2,6-diethyl-5-nitro-benzonitrile CAS Name: 3-(cyanomethyl)-2,6-diethyl-5-nitrobenzonitrile IUPAC Name: 3-(cyanomethyl)-2,6-diethyl-5-nitrobenzonitrile Traditional Name: 3-(cyanomethyl)-2,6-diethyl-5-nitro-benzonitrile Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1CC#N)[N+](=O)[O-])CC)C#N

Isomeric SMILES

CCC1=C(C(=C(C=C1CC#N)[N+](=O)[O-])CC)C#N

InChI

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