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

Systemtic Name: 2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-4-(4-nitrophenoxy)-3-oxidanylidene-butanenitrile Openeye Name: 2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)-4-(4-nitrophenoxy)-3-oxo-butanenitrile CAS Name: 2-[3-(4-morpholinyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-4-(4-nitrophenoxy)-3-oxobutanenitrile IUPAC Name: 2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-4-(4-nitrophenoxy)-3-oxobutanenitrile Traditional Name: 3-keto-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)-4-(4-nitrophenoxy)butyronitrile Formula: C22H20N6O5 MolecularWeight: 448.4314

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NNC(=C(C#N)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-])N2C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=NNC(=C(C#N)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-])N2C4=CC=CC=C4

InChI

InChI=1S/C22H20N6O5/c23-14-19(20(29)15-33-18-8-6-17(7-9-18)28(30)31)21-24-25-22(26-10-12-32-13-11-26)27(21)16-4-2-1-3-5-16/h1-9,24H,10-13,15H2