2,6-dimethyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 2,6-dimethyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 5-[(2-hydroxy-5-nitro-phenyl)methyl]-2,6-dimethyl-1H-pyrimidin-4-one CAS Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-2,6-dimethyl-1H-pyrimidin-4-one IUPAC Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-2,6-dimethyl-1H-pyrimidin-4-one Traditional Name: 5-(2-hydroxy-5-nitro-benzyl)-2,6-dimethyl-1H-pyrimidin-4-one Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C)CC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C)CC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H13N3O4/c1-7-11(13(18)15-8(2)14-7)6-9-5-10(16(19)20)3-4-12(9)17/h3-5,17H,6H2,1-2H3,(H,14,15,18)