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

Systemtic Name: 3-[methyl-[4-nitro-5-(pyridin-2-ylamino)-2,1,3-benzoxadiazol-7-yl]amino]propanenitrile Openeye Name: 3-[methyl-[4-nitro-5-(2-pyridylamino)-2,1,3-benzoxadiazol-7-yl]amino]propanenitrile CAS Name: 3-[methyl-[4-nitro-5-(2-pyridinylamino)-2,1,3-benzoxadiazol-7-yl]amino]propanenitrile IUPAC Name: 3-[methyl-[4-nitro-5-(pyridin-2-ylamino)-2,1,3-benzoxadiazol-7-yl]amino]propanenitrile Traditional Name: 3-[methyl-[7-nitro-6-(2-pyridylamino)benzofurazan-4-yl]amino]propionitrile Formula: C15H13N7O3 MolecularWeight: 339.30882

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=CC(=C(C2=NON=C12)[N+](=O)[O-])NC3=CC=CC=N3

Isomeric SMILES

CN(CCC#N)C1=CC(=C(C2=NON=C12)[N+](=O)[O-])NC3=CC=CC=N3

InChI

InChI=1S/C15H13N7O3/c1-21(8-4-6-16)11-9-10(18-12-5-2-3-7-17-12)15(22(23)24)14-13(11)19-25-20-14/h2-3,5,7,9H,4,8H2,1H3,(H,17,18)