5,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3-oxidanylidene-pyridazine-4-carbonitrile

Systemtic Name: 5,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 5,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3-oxo-pyridazine-4-carbonitrile CAS Name: 5,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 5,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3-oxopyridazine-4-carbonitrile Traditional Name: 3-keto-5,6-dimethyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridazine-4-carbonitrile Formula: C16H14N4O5 MolecularWeight: 342.30616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C#N

InChI

InChI=1S/C16H14N4O5/c1-9-10(2)18-19(16(21)14(9)5-17)6-11-3-13(20(22)23)4-12-7-24-8-25-15(11)12/h3-4H,6-8H2,1-2H3