5-ethanoyl-6-methyl-4-(3-nitro-2-oxidanyl-phenyl)-3,4-dihydro-1H-pyrimidin-2-one

Systemtic Name: 5-ethanoyl-6-methyl-4-(3-nitro-2-oxidanyl-phenyl)-3,4-dihydro-1H-pyrimidin-2-one Openeye Name: 5-acetyl-4-(2-hydroxy-3-nitro-phenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one CAS Name: 5-acetyl-4-(2-hydroxy-3-nitrophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one IUPAC Name: 5-acetyl-4-(2-hydroxy-3-nitrophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one Traditional Name: 5-acetyl-4-(2-hydroxy-3-nitro-phenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O5/c1-6-10(7(2)17)11(15-13(19)14-6)8-4-3-5-9(12(8)18)16(20)21/h3-5,11,18H,1-2H3,(H2,14,15,19)