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3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)methylamino]propanenitrile

3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)methylamino]propanenitrile

Systemtic Name:3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)methylamino]propanenitrile
Openeye Name:3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)methylamino]propanenitrile
CAS Name:3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)methylamino]propanenitrile
IUPAC Name:3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)methylamino]propanenitrile
Traditional Name:3-[(7-nitrobenzofurazan-4-yl)methylamino]propionitrile
Formula: C10H9N5O3
MolecularWeight: 247.21016
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])CNCCC#N


Isomeric SMILES

C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])CNCCC#N


InChI

InChI=1S/C10H9N5O3/c11-4-1-5-12-6-7-2-3-8(15(16)17)10-9(7)13-18-14-10/h2-3,12H,1,5-6H2


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