2-(2,5-dimethyl-3-nitro-phenyl)ethanenitrile

Systemtic Name: 2-(2,5-dimethyl-3-nitro-phenyl)ethanenitrile Openeye Name: 2-(2,5-dimethyl-3-nitro-phenyl)acetonitrile CAS Name: 2-(2,5-dimethyl-3-nitrophenyl)acetonitrile IUPAC Name: 2-(2,5-dimethyl-3-nitrophenyl)acetonitrile Traditional Name: 2-(2,5-dimethyl-3-nitro-phenyl)acetonitrile Formula: C10H10N2O2 MolecularWeight: 190.1986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2O2/c1-7-5-9(3-4-11)8(2)10(6-7)12(13)14/h5-6H,3H2,1-2H3