2-(3-diethoxyphosphoryl-5-nitro-2-oxidanylidene-1H-indol-3-yl)propanedinitrile

Systemtic Name: 2-(3-diethoxyphosphoryl-5-nitro-2-oxidanylidene-1H-indol-3-yl)propanedinitrile Openeye Name: 2-(3-diethoxyphosphoryl-5-nitro-2-oxo-indolin-3-yl)propanedinitrile CAS Name: 2-(3-diethoxyphosphoryl-5-nitro-2-oxo-1H-indol-3-yl)propanedinitrile IUPAC Name: 2-(3-diethoxyphosphoryl-5-nitro-2-oxo-1H-indol-3-yl)propanedinitrile Traditional Name: 2-(3-diethoxyphosphoryl-2-keto-5-nitro-indolin-3-yl)malononitrile Formula: C15H15N4O6P MolecularWeight: 378.276561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1(C2=C(C=CC(=C2)[N+](=O)[O-])NC1=O)C(C#N)C#N)OCC

Isomeric SMILES

CCOP(=O)(C1(C2=C(C=CC(=C2)[N+](=O)[O-])NC1=O)C(C#N)C#N)OCC

InChI

InChI=1S/C15H15N4O6P/c1-3-24-26(23,25-4-2)15(10(8-16)9-17)12-7-11(19(21)22)5-6-13(12)18-14(15)20/h5-7,10H,3-4H2,1-2H3,(H,18,20)