2,6-dimethyl-3-nitro-4-oxidanyl-benzenecarbonitrile

Systemtic Name: 2,6-dimethyl-3-nitro-4-oxidanyl-benzenecarbonitrile Openeye Name: 4-hydroxy-2,6-dimethyl-3-nitro-benzonitrile CAS Name: 4-hydroxy-2,6-dimethyl-3-nitrobenzonitrile IUPAC Name: 4-hydroxy-2,6-dimethyl-3-nitrobenzonitrile Traditional Name: 4-hydroxy-2,6-dimethyl-3-nitro-benzonitrile Formula: C9H8N2O3 MolecularWeight: 192.17142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N2O3/c1-5-3-8(12)9(11(13)14)6(2)7(5)4-10/h3,12H,1-2H3