4-(3,5-dimethylphenoxy)-5-nitro-1H-pyrimidin-6-one

Systemtic Name: 4-(3,5-dimethylphenoxy)-5-nitro-1H-pyrimidin-6-one Openeye Name: 4-(3,5-dimethylphenoxy)-5-nitro-1H-pyrimidin-6-one CAS Name: 4-(3,5-dimethylphenoxy)-5-nitro-1H-pyrimidin-6-one IUPAC Name: 4-(3,5-dimethylphenoxy)-5-nitro-1H-pyrimidin-6-one Traditional Name: 4-(3,5-dimethylphenoxy)-5-nitro-1H-pyrimidin-6-one Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(C(=O)NC=N2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(C(=O)NC=N2)[N+](=O)[O-])C

InChI

InChI=1S/C12H11N3O4/c1-7-3-8(2)5-9(4-7)19-12-10(15(17)18)11(16)13-6-14-12/h3-6H,1-2H3,(H,13,14,16)