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

Systemtic Name: 5-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-dioctyl-pyrimidine-2,4-dione Openeye Name: 5-[(E)-2-(4-nitrophenyl)vinyl]-1,3-dioctyl-pyrimidine-2,4-dione CAS Name: 5-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-dioctylpyrimidine-2,4-dione IUPAC Name: 5-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-dioctylpyrimidine-2,4-dione Traditional Name: 5-[(E)-2-(4-nitrophenyl)vinyl]-1,3-dioctyl-pyrimidine-2,4-quinone Formula: C28H41N3O4 MolecularWeight: 483.64284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41N3O4/c1-3-5-7-9-11-13-21-29-23-25(18-15-24-16-19-26(20-17-24)31(34)35)27(32)30(28(29)33)22-14-12-10-8-6-4-2/h15-20,23H,3-14,21-22H2,1-2H3/b18-15+