1-nitro-2-[(1E,3E)-4-(2-nitrophenyl)buta-1,3-dienyl]benzene hydrate

Systemtic Name: 1-nitro-2-[(1E,3E)-4-(2-nitrophenyl)buta-1,3-dienyl]benzene hydrate Openeye Name: 1-nitro-2-[(1E,3E)-4-(2-nitrophenyl)buta-1,3-dienyl]benzene hydrate CAS Name: 1-nitro-2-[(1E,3E)-4-(2-nitrophenyl)buta-1,3-dienyl]benzene hydrate IUPAC Name: 1-nitro-2-[(1E,3E)-4-(2-nitrophenyl)buta-1,3-dienyl]benzene hydrate Traditional Name: 1-nitro-2-[(1E,3E)-4-(2-nitrophenyl)buta-1,3-dienyl]benzene hydrate Formula: C16H14N2O5 MolecularWeight: 314.29276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC=CC2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-].O

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O4.H2O/c19-17(20)15-11-5-3-9-13(15)7-1-2-8-14-10-4-6-12-16(14)18(21)22;/h1-12H;1H2/b7-1+,8-2+;