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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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