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

Systemtic Name: 2-(5-chloranyl-3-nitro-6-oxidanylidene-1-propyl-pyridazin-4-yl)-2-(5-nitro-1,3-benzoxazol-2-yl)ethanenitrile Openeye Name: 2-(5-chloro-3-nitro-6-oxo-1-propyl-pyridazin-4-yl)-2-(5-nitro-1,3-benzoxazol-2-yl)acetonitrile CAS Name: 2-(5-chloro-3-nitro-6-oxo-1-propyl-4-pyridazinyl)-2-(5-nitro-1,3-benzoxazol-2-yl)acetonitrile IUPAC Name: 2-(5-chloro-3-nitro-6-oxo-1-propylpyridazin-4-yl)-2-(5-nitro-1,3-benzoxazol-2-yl)acetonitrile Traditional Name: 2-(5-chloro-6-keto-3-nitro-1-propyl-pyridazin-4-yl)-2-(5-nitro-1,3-benzoxazol-2-yl)acetonitrile Formula: C16H11ClN6O6 MolecularWeight: 418.74814

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=C(C(=N1)[N+](=O)[O-])C(C#N)C2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCN1C(=O)C(=C(C(=N1)[N+](=O)[O-])C(C#N)C2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H11ClN6O6/c1-2-5-21-16(24)13(17)12(14(20-21)23(27)28)9(7-18)15-19-10-6-8(22(25)26)3-4-11(10)29-15/h3-4,6,9H,2,5H2,1H3