(5S,6R)-5-ethanoyl-4-methylidene-6-(4-nitrophenyl)-1,3-diazinan-2-one

Systemtic Name: (5S,6R)-5-ethanoyl-4-methylidene-6-(4-nitrophenyl)-1,3-diazinan-2-one Openeye Name: (5S,6R)-5-acetyl-4-methylene-6-(4-nitrophenyl)hexahydropyrimidin-2-one CAS Name: (5S,6R)-5-acetyl-4-methylene-6-(4-nitrophenyl)-1,3-diazinan-2-one IUPAC Name: (5S,6R)-5-acetyl-4-methylidene-6-(4-nitrophenyl)-1,3-diazinan-2-one Traditional Name: (5S,6R)-5-acetyl-4-methylene-6-(4-nitrophenyl)hexahydropyrimidin-2-one Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(NC(=O)NC1=C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4/c1-7-11(8(2)17)12(15-13(18)14-7)9-3-5-10(6-4-9)16(19)20/h3-6,11-12H,1H2,2H3,(H2,14,15,18)/t11-,12-/m0/s1