3-(2,2-dimethoxyethyl)-5-nitro-2-phenyl-pyrimidin-4-one

Systemtic Name: 3-(2,2-dimethoxyethyl)-5-nitro-2-phenyl-pyrimidin-4-one Openeye Name: 3-(2,2-dimethoxyethyl)-5-nitro-2-phenyl-pyrimidin-4-one CAS Name: 3-(2,2-dimethoxyethyl)-5-nitro-2-phenyl-4-pyrimidinone IUPAC Name: 3-(2,2-dimethoxyethyl)-5-nitro-2-phenylpyrimidin-4-one Traditional Name: 3-(2,2-dimethoxyethyl)-5-nitro-2-phenyl-pyrimidin-4-one Formula: C14H15N3O5 MolecularWeight: 305.286

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Descriptors Computed from Structure

Canonical SMILES:

COC(CN1C(=NC=C(C1=O)[N+](=O)[O-])C2=CC=CC=C2)OC

Isomeric SMILES

COC(CN1C(=NC=C(C1=O)[N+](=O)[O-])C2=CC=CC=C2)OC

InChI

InChI=1S/C14H15N3O5/c1-21-12(22-2)9-16-13(10-6-4-3-5-7-10)15-8-11(14(16)18)17(19)20/h3-8,12H,9H2,1-2H3