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

Systemtic Name: 3-[[5-[2-hydroxyethyl(methyl)amino]-4-nitro-2,1,3-benzoxadiazol-7-yl]-methyl-amino]propanenitrile Openeye Name: 3-[[5-[2-hydroxyethyl(methyl)amino]-4-nitro-2,1,3-benzoxadiazol-7-yl]-methyl-amino]propanenitrile CAS Name: 3-[[5-[2-hydroxyethyl(methyl)amino]-4-nitro-2,1,3-benzoxadiazol-7-yl]-methylamino]propanenitrile IUPAC Name: 3-[[5-[2-hydroxyethyl(methyl)amino]-4-nitro-2,1,3-benzoxadiazol-7-yl]-methylamino]propanenitrile Traditional Name: 3-[[6-[2-hydroxyethyl(methyl)amino]-7-nitro-benzofurazan-4-yl]-methyl-amino]propionitrile Formula: C13H16N6O4 MolecularWeight: 320.30394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N6O4/c1-17(5-3-4-14)9-8-10(18(2)6-7-20)13(19(21)22)12-11(9)15-23-16-12/h8,20H,3,5-7H2,1-2H3