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

Systemtic Name: 3-[[5-(2-hydroxyethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]-methyl-amino]propanenitrile Openeye Name: 3-[[5-(2-hydroxyethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]-methyl-amino]propanenitrile CAS Name: 3-[[5-(2-hydroxyethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]-methylamino]propanenitrile IUPAC Name: 3-[[5-(2-hydroxyethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]-methylamino]propanenitrile Traditional Name: 3-[[6-(2-hydroxyethylamino)-7-nitro-benzofurazan-4-yl]-methyl-amino]propionitrile Formula: C12H14N6O4 MolecularWeight: 306.27736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N6O4/c1-17(5-2-3-13)9-7-8(14-4-6-19)12(18(20)21)11-10(9)15-22-16-11/h7,14,19H,2,4-6H2,1H3