2-chloranyl-2-[(2-methyl-4-nitro-phenyl)methyl]pentanedinitrile

Systemtic Name: 2-chloranyl-2-[(2-methyl-4-nitro-phenyl)methyl]pentanedinitrile Openeye Name: 2-chloro-2-[(2-methyl-4-nitro-phenyl)methyl]pentanedinitrile CAS Name: 2-chloro-2-[(2-methyl-4-nitrophenyl)methyl]pentanedinitrile IUPAC Name: 2-chloro-2-[(2-methyl-4-nitrophenyl)methyl]pentanedinitrile Traditional Name: 2-chloro-2-(2-methyl-4-nitro-benzyl)glutaronitrile Formula: C13H12ClN3O2 MolecularWeight: 277.70628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])CC(CCC#N)(C#N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])CC(CCC#N)(C#N)Cl

InChI

InChI=1S/C13H12ClN3O2/c1-10-7-12(17(18)19)4-3-11(10)8-13(14,9-16)5-2-6-15/h3-4,7H,2,5,8H2,1H3