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

Systemtic Name: 2-methyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-[(2-hydroxy-5-nitro-phenyl)methyl]-2-methyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[(2-hydroxy-5-nitrophenyl)methyl]-2-methyl-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-[(2-hydroxy-5-nitrophenyl)methyl]-2-methyl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-(2-hydroxy-5-nitro-benzyl)-2-methyl-1H-pyrimidin-6-one Formula: C12H11N3O5 MolecularWeight: 277.23284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O5/c1-6-13-11(17)9(12(18)14-6)5-7-4-8(15(19)20)2-3-10(7)16/h2-4,16H,5H2,1H3,(H2,13,14,17,18)