(1,4-dinitro-3-phenyl-butan-2-yl)benzene

Systemtic Name: (1,4-dinitro-3-phenyl-butan-2-yl)benzene Openeye Name: [3-nitro-1-(nitromethyl)-2-phenyl-propyl]benzene CAS Name: (1,4-dinitro-3-phenylbutan-2-yl)benzene IUPAC Name: (1,4-dinitro-3-phenylbutan-2-yl)benzene Traditional Name: [3-nitro-1-(nitromethyl)-2-phenyl-propyl]benzene Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C[N+](=O)[O-])C(C[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(C[N+](=O)[O-])C(C[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C16H16N2O4/c19-17(20)11-15(13-7-3-1-4-8-13)16(12-18(21)22)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2