3-chloranyl-2-ethyl-5-(2-methylpropyl)-6-nitro-benzenecarbonitrile

Systemtic Name: 3-chloranyl-2-ethyl-5-(2-methylpropyl)-6-nitro-benzenecarbonitrile Openeye Name: 3-chloro-2-ethyl-5-isobutyl-6-nitro-benzonitrile CAS Name: 3-chloro-2-ethyl-5-(2-methylpropyl)-6-nitrobenzonitrile IUPAC Name: 3-chloro-2-ethyl-5-(2-methylpropyl)-6-nitrobenzonitrile Traditional Name: 3-chloro-2-ethyl-5-isobutyl-6-nitro-benzonitrile Formula: C13H15ClN2O2 MolecularWeight: 266.7234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O2/c1-4-10-11(7-15)13(16(17)18)9(5-8(2)3)6-12(10)14/h6,8H,4-5H2,1-3H3