3-(4-morpholin-4-yl-3-nitro-phenyl)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(4-morpholin-4-yl-3-nitro-phenyl)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-(4-morpholino-3-nitro-phenyl)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)-3-oxo-propanenitrile CAS Name: 3-[4-(4-morpholinyl)-3-nitrophenyl]-2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]-3-oxopropanenitrile IUPAC Name: 3-(4-morpholin-4-yl-3-nitrophenyl)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-oxopropanenitrile Traditional Name: 3-keto-3-(4-morpholino-3-nitro-phenyl)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)propionitrile Formula: C25H25N7O5 MolecularWeight: 503.5099

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)C(C#N)C3=NN=C(N3C4=CC=CC=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)C(C#N)C3=NN=C(N3C4=CC=CC=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H25N7O5/c26-17-20(23(33)18-6-7-21(22(16-18)32(34)35)29-8-12-36-13-9-29)24-27-28-25(30-10-14-37-15-11-30)31(24)19-4-2-1-3-5-19/h1-7,16,20H,8-15H2