5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-1,3-dioctyl-pyrimidine-2,4-dione

Systemtic Name: 5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-1,3-dioctyl-pyrimidine-2,4-dione Openeye Name: 5-[(E)-2-(2,4-dinitrophenyl)vinyl]-1,3-dioctyl-pyrimidine-2,4-dione CAS Name: 5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-1,3-dioctylpyrimidine-2,4-dione IUPAC Name: 5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-1,3-dioctylpyrimidine-2,4-dione Traditional Name: 5-[(E)-2-(2,4-dinitrophenyl)vinyl]-1,3-dioctyl-pyrimidine-2,4-quinone Formula: C28H40N4O6 MolecularWeight: 528.6404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C=C(C(=O)N(C1=O)CCCCCCCC)C=CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCN1C=C(C(=O)N(C1=O)CCCCCCCC)/C=C/C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C28H40N4O6/c1-3-5-7-9-11-13-19-29-22-24(27(33)30(28(29)34)20-14-12-10-8-6-4-2)16-15-23-17-18-25(31(35)36)21-26(23)32(37)38/h15-18,21-22H,3-14,19-20H2,1-2H3/b16-15+