(E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enenitrile

Systemtic Name: (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enenitrile Openeye Name: (E)-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)-5-(3-nitrophenyl)-3-oxo-pent-4-enenitrile CAS Name: (E)-2-[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]-5-(3-nitrophenyl)-3-oxo-4-pentenenitrile IUPAC Name: (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-5-(3-nitrophenyl)-3-oxopent-4-enenitrile Traditional Name: (E)-3-keto-2-(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)-5-(3-nitrophenyl)pent-4-enenitrile Formula: C23H20N6O4 MolecularWeight: 444.4427

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)C(C#N)C(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H20N6O4/c24-16-20(21(30)10-9-17-5-4-8-19(15-17)29(31)32)22-25-26-23(27-11-13-33-14-12-27)28(22)18-6-2-1-3-7-18/h1-10,15,20H,11-14H2/b10-9+