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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1C#N)[N+](=O)[O-])CC(C)C)Cl

Isomeric SMILES

CCCC1=C(C=C(C(=C1C#N)[N+](=O)[O-])CC(C)C)Cl

InChI

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