4-chloranyl-3-methyl-benzene-1,2-dicarbonitrile

Systemtic Name: 4-chloranyl-3-methyl-benzene-1,2-dicarbonitrile Openeye Name: 4-chloro-3-methyl-phthalonitrile CAS Name: 4-chloro-3-methylbenzene-1,2-dicarbonitrile IUPAC Name: 4-chloro-3-methylbenzene-1,2-dicarbonitrile Traditional Name: 4-chloro-3-methyl-phthalonitrile Formula: C9H5ClN2 MolecularWeight: 176.6024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C#N)C#N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1C#N)C#N)Cl

InChI

InChI=1S/C9H5ClN2/c1-6-8(5-12)7(4-11)2-3-9(6)10/h2-3H,1H3