3-chloranyl-4-methyl-5-nitro-benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-methyl-5-nitro-benzenecarbonitrile Openeye Name: 3-chloro-4-methyl-5-nitro-benzonitrile CAS Name: 3-chloro-4-methyl-5-nitrobenzonitrile IUPAC Name: 3-chloro-4-methyl-5-nitrobenzonitrile Traditional Name: 3-chloro-4-methyl-5-nitro-benzonitrile Formula: C8H5ClN2O2 MolecularWeight: 196.5905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Cl)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1Cl)C#N)[N+](=O)[O-]

InChI

InChI=1S/C8H5ClN2O2/c1-5-7(9)2-6(4-10)3-8(5)11(12)13/h2-3H,1H3