4-(2,2-dinitroethyl)benzenecarbonitrile

Systemtic Name: 4-(2,2-dinitroethyl)benzenecarbonitrile Openeye Name: 4-(2,2-dinitroethyl)benzonitrile CAS Name: 4-(2,2-dinitroethyl)benzonitrile IUPAC Name: 4-(2,2-dinitroethyl)benzonitrile Traditional Name: 4-(2,2-dinitroethyl)benzonitrile Formula: C9H7N3O4 MolecularWeight: 221.16958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7N3O4/c10-6-8-3-1-7(2-4-8)5-9(11(13)14)12(15)16/h1-4,9H,5H2