(2S)-2-(5-chloranyl-1-ethyl-3-nitro-6-oxidanylidene-pyridazin-4-yl)-2-(5-nitro-1,3-benzoxazol-2-yl)ethanenitrile

Systemtic Name: (2S)-2-(5-chloranyl-1-ethyl-3-nitro-6-oxidanylidene-pyridazin-4-yl)-2-(5-nitro-1,3-benzoxazol-2-yl)ethanenitrile Openeye Name: (2S)-2-(5-chloro-1-ethyl-3-nitro-6-oxo-pyridazin-4-yl)-2-(5-nitro-1,3-benzoxazol-2-yl)acetonitrile CAS Name: (2S)-2-(5-chloro-1-ethyl-3-nitro-6-oxo-4-pyridazinyl)-2-(5-nitro-1,3-benzoxazol-2-yl)acetonitrile IUPAC Name: (2S)-2-(5-chloro-1-ethyl-3-nitro-6-oxopyridazin-4-yl)-2-(5-nitro-1,3-benzoxazol-2-yl)acetonitrile Traditional Name: (2S)-2-(5-chloro-1-ethyl-6-keto-3-nitro-pyridazin-4-yl)-2-(5-nitro-1,3-benzoxazol-2-yl)acetonitrile Formula: C15H9ClN6O6 MolecularWeight: 404.72156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)[N+](=O)[O-])C(C#N)C2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)[N+](=O)[O-])[C@@H](C#N)C2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H9ClN6O6/c1-2-20-15(23)12(16)11(13(19-20)22(26)27)8(6-17)14-18-9-5-7(21(24)25)3-4-10(9)28-14/h3-5,8H,2H2,1H3/t8-/m1/s1