2-(2-methyl-4,6-dinitro-phenyl)ethanenitrile

Systemtic Name: 2-(2-methyl-4,6-dinitro-phenyl)ethanenitrile Openeye Name: 2-(2-methyl-4,6-dinitro-phenyl)acetonitrile CAS Name: 2-(2-methyl-4,6-dinitrophenyl)acetonitrile IUPAC Name: 2-(2-methyl-4,6-dinitrophenyl)acetonitrile Traditional Name: 2-(2-methyl-4,6-dinitro-phenyl)acetonitrile Formula: C9H7N3O4 MolecularWeight: 221.16958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC#N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1CC#N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H7N3O4/c1-6-4-7(11(13)14)5-9(12(15)16)8(6)2-3-10/h4-5H,2H2,1H3