5-nitro-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one

Systemtic Name: 5-nitro-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one Openeye Name: 4-(4-isopropylphenoxy)-5-nitro-1H-pyrimidin-6-one CAS Name: 5-nitro-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one IUPAC Name: 5-nitro-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one Traditional Name: 4-(4-isopropylphenoxy)-5-nitro-1H-pyrimidin-6-one Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4/c1-8(2)9-3-5-10(6-4-9)20-13-11(16(18)19)12(17)14-7-15-13/h3-8H,1-2H3,(H,14,15,17)