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

Systemtic Name: 3-chloranyl-2-(2-methylpropyl)-6-nitro-5-propyl-benzenecarbonitrile Openeye Name: 3-chloro-2-isobutyl-6-nitro-5-propyl-benzonitrile CAS Name: 3-chloro-2-(2-methylpropyl)-6-nitro-5-propylbenzonitrile IUPAC Name: 3-chloro-2-(2-methylpropyl)-6-nitro-5-propylbenzonitrile Traditional Name: 3-chloro-2-isobutyl-6-nitro-5-propyl-benzonitrile Formula: C14H17ClN2O2 MolecularWeight: 280.74998

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C(=C1[N+](=O)[O-])C#N)CC(C)C)Cl

Isomeric SMILES

CCCC1=CC(=C(C(=C1[N+](=O)[O-])C#N)CC(C)C)Cl

InChI

InChI=1S/C14H17ClN2O2/c1-4-5-10-7-13(15)11(6-9(2)3)12(8-16)14(10)17(18)19/h7,9H,4-6H2,1-3H3