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

Systemtic Name: 2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-(3-nitrophenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-(3-nitrophenyl)-3-oxo-propanenitrile CAS Name: 2-[3-(4-morpholinyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-3-(3-nitrophenyl)-3-oxopropanenitrile IUPAC Name: 2-(3-morpholin-4-yl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-(3-nitrophenyl)-3-oxopropanenitrile Traditional Name: 3-keto-2-(3-morpholino-4-phenyl-1H-1,2,4-triazol-5-ylidene)-3-(3-nitrophenyl)propionitrile Formula: C21H18N6O4 MolecularWeight: 418.40542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N6O4/c22-14-18(19(28)15-5-4-8-17(13-15)27(29)30)20-23-24-21(25-9-11-31-12-10-25)26(20)16-6-2-1-3-7-16/h1-8,13,23H,9-12H2