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

Systemtic Name: 3-chloranyl-5-(cyanomethyl)-4-ethyl-2-nitro-benzenecarbonitrile Openeye Name: 3-chloro-5-(cyanomethyl)-4-ethyl-2-nitro-benzonitrile CAS Name: 3-chloro-5-(cyanomethyl)-4-ethyl-2-nitrobenzonitrile IUPAC Name: 3-chloro-5-(cyanomethyl)-4-ethyl-2-nitrobenzonitrile Traditional Name: 3-chloro-5-(cyanomethyl)-4-ethyl-2-nitro-benzonitrile Formula: C11H8ClN3O2 MolecularWeight: 249.65312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1Cl)[N+](=O)[O-])C#N)CC#N

Isomeric SMILES

CCC1=C(C=C(C(=C1Cl)[N+](=O)[O-])C#N)CC#N

InChI

InChI=1S/C11H8ClN3O2/c1-2-9-7(3-4-13)5-8(6-14)11(10(9)12)15(16)17/h5H,2-3H2,1H3