3-[methyl-(5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanenitrile

Systemtic Name: 3-[methyl-(5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanenitrile Openeye Name: 3-[methyl-(5-morpholino-4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanenitrile CAS Name: 3-[methyl-[5-(4-morpholinyl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]propanenitrile IUPAC Name: 3-[methyl-(5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanenitrile Traditional Name: 3-[methyl-(6-morpholino-7-nitro-benzofurazan-4-yl)amino]propionitrile Formula: C14H16N6O4 MolecularWeight: 332.31464

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=CC(=C(C2=NON=C12)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CN(CCC#N)C1=CC(=C(C2=NON=C12)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C14H16N6O4/c1-18(4-2-3-15)10-9-11(19-5-7-23-8-6-19)14(20(21)22)13-12(10)16-24-17-13/h9H,2,4-8H2,1H3