3-chloranyl-4-ethyl-2-(2-methylpropyl)-6-nitro-benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-ethyl-2-(2-methylpropyl)-6-nitro-benzenecarbonitrile Openeye Name: 3-chloro-4-ethyl-2-isobutyl-6-nitro-benzonitrile CAS Name: 3-chloro-4-ethyl-2-(2-methylpropyl)-6-nitrobenzonitrile IUPAC Name: 3-chloro-4-ethyl-2-(2-methylpropyl)-6-nitrobenzonitrile Traditional Name: 3-chloro-4-ethyl-2-isobutyl-6-nitro-benzonitrile Formula: C13H15ClN2O2 MolecularWeight: 266.7234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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