2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-(5-nitrofuran-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-(5-nitrofuran-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-(5-nitro-2-furyl)-3-oxo-propanenitrile CAS Name: 2-[3-(4-morpholinyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-3-(5-nitro-2-furanyl)-3-oxopropanenitrile IUPAC Name: 2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-(5-nitrofuran-2-yl)-3-oxopropanenitrile Traditional Name: 3-keto-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-(5-nitro-2-furyl)propionitrile Formula: C19H16N6O5 MolecularWeight: 408.36754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NNC(=C(C#N)C(=O)C3=CC=C(O3)[N+](=O)[O-])N2C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=NNC(=C(C#N)C(=O)C3=CC=C(O3)[N+](=O)[O-])N2C4=CC=CC=C4

InChI

InChI=1S/C19H16N6O5/c20-12-14(17(26)15-6-7-16(30-15)25(27)28)18-21-22-19(23-8-10-29-11-9-23)24(18)13-4-2-1-3-5-13/h1-7,21H,8-11H2