4-(1,3-dinitropropan-2-yl)benzenecarbonitrile

Systemtic Name: 4-(1,3-dinitropropan-2-yl)benzenecarbonitrile Openeye Name: 4-[2-nitro-1-(nitromethyl)ethyl]benzonitrile CAS Name: 4-(1,3-dinitropropan-2-yl)benzonitrile IUPAC Name: 4-(1,3-dinitropropan-2-yl)benzonitrile Traditional Name: 4-[2-nitro-1-(nitromethyl)ethyl]benzonitrile Formula: C10H9N3O4 MolecularWeight: 235.19616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(C[N+](=O)[O-])C[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)C(C[N+](=O)[O-])C[N+](=O)[O-]

InChI

InChI=1S/C10H9N3O4/c11-5-8-1-3-9(4-2-8)10(6-12(14)15)7-13(16)17/h1-4,10H,6-7H2