2-(4-methyl-2-nitro-phenyl)ethanenitrile

Systemtic Name: 2-(4-methyl-2-nitro-phenyl)ethanenitrile Openeye Name: 2-(4-methyl-2-nitro-phenyl)acetonitrile CAS Name: 2-(4-methyl-2-nitrophenyl)acetonitrile IUPAC Name: 2-(4-methyl-2-nitrophenyl)acetonitrile Traditional Name: 2-(4-methyl-2-nitro-phenyl)acetonitrile Formula: C9H8N2O2 MolecularWeight: 176.17202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N2O2/c1-7-2-3-8(4-5-10)9(6-7)11(12)13/h2-3,6H,4H2,1H3