2-[(E)-2-(4-butan-2-yloxy-3-ethoxy-phenyl)ethenyl]-5-nitro-1H-pyrimidine-4,6-dione

Systemtic Name: 2-[(E)-2-(4-butan-2-yloxy-3-ethoxy-phenyl)ethenyl]-5-nitro-1H-pyrimidine-4,6-dione Openeye Name: 2-[(E)-2-(3-ethoxy-4-sec-butoxy-phenyl)vinyl]-5-nitro-1H-pyrimidine-4,6-dione CAS Name: 2-[(E)-2-(4-butan-2-yloxy-3-ethoxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-4,6-dione IUPAC Name: 2-[(E)-2-(4-butan-2-yloxy-3-ethoxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-4,6-dione Traditional Name: 2-[(E)-2-(3-ethoxy-4-sec-butoxy-phenyl)vinyl]-5-nitro-1H-pyrimidine-4,6-quinone Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1)C=CC2=NC(=O)C(C(=O)N2)[N+](=O)[O-])OCC

Isomeric SMILES

CCC(C)OC1=C(C=C(C=C1)/C=C/C2=NC(=O)C(C(=O)N2)[N+](=O)[O-])OCC

InChI

InChI=1S/C18H21N3O6/c1-4-11(3)27-13-8-6-12(10-14(13)26-5-2)7-9-15-19-17(22)16(21(24)25)18(23)20-15/h6-11,16H,4-5H2,1-3H3,(H,19,20,22,23)/b9-7+