(E)-1,3-diphenylprop-2-en-1-one; 1,3,5-trinitrobenzene

Systemtic Name: (E)-1,3-diphenylprop-2-en-1-one; 1,3,5-trinitrobenzene Openeye Name: (E)-1,3-diphenylprop-2-en-1-one; 1,3,5-trinitrobenzene CAS Name: (E)-1,3-diphenyl-2-propen-1-one; 1,3,5-trinitrobenzene IUPAC Name: (E)-1,3-diphenylprop-2-en-1-one; 1,3,5-trinitrobenzene Traditional Name: (E)-1,3-diphenylprop-2-en-1-one; 1,3,5-trinitrobenzene Formula: C21H15N3O7 MolecularWeight: 421.3597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12O.C6H3N3O6/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-12H;1-3H/b12-11+;