4-(2-chloranyl-4-nitro-phenoxy)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-(2-chloranyl-4-nitro-phenoxy)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-oxidanylidene-butanenitrile Openeye Name: 4-(2-chloro-4-nitro-phenoxy)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)-3-oxo-butanenitrile CAS Name: 4-(2-chloro-4-nitrophenoxy)-2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]-3-oxobutanenitrile IUPAC Name: 4-(2-chloro-4-nitrophenoxy)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-oxobutanenitrile Traditional Name: 4-(2-chloro-4-nitro-phenoxy)-3-keto-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)butyronitrile Formula: C22H19ClN6O5 MolecularWeight: 482.87646

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)C(C#N)C(=O)COC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)C(C#N)C(=O)COC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H19ClN6O5/c23-18-12-16(29(31)32)6-7-20(18)34-14-19(30)17(13-24)21-25-26-22(27-8-10-33-11-9-27)28(21)15-4-2-1-3-5-15/h1-7,12,17H,8-11,14H2