4-chloranyl-2-methyl-5-nitro-benzenecarbonitrile

Systemtic Name: 4-chloranyl-2-methyl-5-nitro-benzenecarbonitrile Openeye Name: 4-chloro-2-methyl-5-nitro-benzonitrile CAS Name: 4-chloro-2-methyl-5-nitrobenzonitrile IUPAC Name: 4-chloro-2-methyl-5-nitrobenzonitrile Traditional Name: 4-chloro-2-methyl-5-nitro-benzonitrile Formula: C8H5ClN2O2 MolecularWeight: 196.5905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#N)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(C=C1C#N)[N+](=O)[O-])Cl

InChI

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