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

Systemtic Name: (5R,6S)-1-ethanoyl-4-methylidene-5-nitro-6-(3-nitrophenyl)-1,3-diazinan-2-one Openeye Name: (5R,6S)-1-acetyl-4-methylene-5-nitro-6-(3-nitrophenyl)hexahydropyrimidin-2-one CAS Name: (5R,6S)-1-acetyl-4-methylene-5-nitro-6-(3-nitrophenyl)-1,3-diazinan-2-one IUPAC Name: (5R,6S)-1-acetyl-4-methylidene-5-nitro-6-(3-nitrophenyl)-1,3-diazinan-2-one Traditional Name: (5R,6S)-1-acetyl-4-methylene-5-nitro-6-(3-nitrophenyl)hexahydropyrimidin-2-one Formula: C13H12N4O6 MolecularWeight: 320.25758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C(C(=C)NC1=O)[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1[C@H]([C@H](C(=C)NC1=O)[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O6/c1-7-11(17(22)23)12(15(8(2)18)13(19)14-7)9-4-3-5-10(6-9)16(20)21/h3-6,11-12H,1H2,2H3,(H,14,19)/t11-,12-/m0/s1