5-nitro-6-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1,3-dipropyl-pyrimidine-2,4-dione

Systemtic Name: 5-nitro-6-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1,3-dipropyl-pyrimidine-2,4-dione Openeye Name: 6-[(E)-2-(4-benzyloxyphenyl)vinyl]-5-nitro-1,3-dipropyl-pyrimidine-2,4-dione CAS Name: 5-nitro-6-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1,3-dipropylpyrimidine-2,4-dione IUPAC Name: 5-nitro-6-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1,3-dipropylpyrimidine-2,4-dione Traditional Name: 6-[(E)-2-(4-benzoxyphenyl)vinyl]-5-nitro-1,3-dipropyl-pyrimidine-2,4-quinone Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)CCC)[N+](=O)[O-])C=CC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)CCC)[N+](=O)[O-])/C=C/C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O5/c1-3-16-26-22(23(28(31)32)24(29)27(17-4-2)25(26)30)15-12-19-10-13-21(14-11-19)33-18-20-8-6-5-7-9-20/h5-15H,3-4,16-18H2,1-2H3/b15-12+