4-(cyanomethyl)-2-ethyl-5-nitro-benzenecarbonitrile

Systemtic Name: 4-(cyanomethyl)-2-ethyl-5-nitro-benzenecarbonitrile Openeye Name: 4-(cyanomethyl)-2-ethyl-5-nitro-benzonitrile CAS Name: 4-(cyanomethyl)-2-ethyl-5-nitrobenzonitrile IUPAC Name: 4-(cyanomethyl)-2-ethyl-5-nitrobenzonitrile Traditional Name: 4-(cyanomethyl)-2-ethyl-5-nitro-benzonitrile Formula: C11H9N3O2 MolecularWeight: 215.20806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N3O2/c1-2-8-5-9(3-4-12)11(14(15)16)6-10(8)7-13/h5-6H,2-3H2,1H3