2-(4-azanyl-3-nitro-phenyl)ethanenitrile

Systemtic Name: 2-(4-azanyl-3-nitro-phenyl)ethanenitrile Openeye Name: 2-(4-amino-3-nitro-phenyl)acetonitrile CAS Name: 2-(4-amino-3-nitrophenyl)acetonitrile IUPAC Name: 2-(4-amino-3-nitrophenyl)acetonitrile Traditional Name: 2-(4-amino-3-nitro-phenyl)acetonitrile Formula: C8H7N3O2 MolecularWeight: 177.16008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC#N)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1CC#N)[N+](=O)[O-])N

InChI

InChI=1S/C8H7N3O2/c9-4-3-6-1-2-7(10)8(5-6)11(12)13/h1-2,5H,3,10H2