4-[2-[[1-chloranyl-2,6-bis(oxidanylidene)cyclohexyl]methyl]phenyl]butanenitrile

Systemtic Name: 4-[2-[[1-chloranyl-2,6-bis(oxidanylidene)cyclohexyl]methyl]phenyl]butanenitrile Openeye Name: 4-[2-[(1-chloro-2,6-dioxo-cyclohexyl)methyl]phenyl]butanenitrile CAS Name: 4-[2-[(1-chloro-2,6-dioxocyclohexyl)methyl]phenyl]butanenitrile IUPAC Name: 4-[2-[(1-chloro-2,6-dioxocyclohexyl)methyl]phenyl]butanenitrile Traditional Name: 4-[2-[(1-chloro-2,6-diketo-cyclohexyl)methyl]phenyl]butyronitrile Formula: C17H18ClNO2 MolecularWeight: 303.78332

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(=O)C1)(CC2=CC=CC=C2CCCC#N)Cl

Isomeric SMILES

C1CC(=O)C(C(=O)C1)(CC2=CC=CC=C2CCCC#N)Cl

InChI

InChI=1S/C17H18ClNO2/c18-17(15(20)9-5-10-16(17)21)12-14-8-2-1-6-13(14)7-3-4-11-19/h1-2,6,8H,3-5,7,9-10,12H2