2-(4-chloranyl-2-nitro-phenyl)-2-(pyridin-3-ylmethyl)hexanenitrile

Systemtic Name: 2-(4-chloranyl-2-nitro-phenyl)-2-(pyridin-3-ylmethyl)hexanenitrile Openeye Name: 2-(4-chloro-2-nitro-phenyl)-2-(3-pyridylmethyl)hexanenitrile CAS Name: 2-(4-chloro-2-nitrophenyl)-2-(3-pyridinylmethyl)hexanenitrile IUPAC Name: 2-(4-chloro-2-nitrophenyl)-2-(pyridin-3-ylmethyl)hexanenitrile Traditional Name: 2-(4-chloro-2-nitro-phenyl)-2-(3-pyridylmethyl)hexanenitrile Formula: C18H18ClN3O2 MolecularWeight: 343.80742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=CN=CC=C1)(C#N)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCC(CC1=CN=CC=C1)(C#N)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O2/c1-2-3-8-18(13-20,11-14-5-4-9-21-12-14)16-7-6-15(19)10-17(16)22(23)24/h4-7,9-10,12H,2-3,8,11H2,1H3