3-[(6-chloranyl-5-nitro-pyrimidin-4-yl)amino]propanenitrile

Systemtic Name: 3-[(6-chloranyl-5-nitro-pyrimidin-4-yl)amino]propanenitrile Openeye Name: 3-[(6-chloro-5-nitro-pyrimidin-4-yl)amino]propanenitrile CAS Name: 3-[(6-chloro-5-nitro-4-pyrimidinyl)amino]propanenitrile IUPAC Name: 3-[(6-chloro-5-nitropyrimidin-4-yl)amino]propanenitrile Traditional Name: 3-[(6-chloro-5-nitro-pyrimidin-4-yl)amino]propionitrile Formula: C7H6ClN5O2 MolecularWeight: 227.60784

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=C(C(=N1)Cl)[N+](=O)[O-])NCCC#N

Isomeric SMILES

C1=NC(=C(C(=N1)Cl)[N+](=O)[O-])NCCC#N

InChI

InChI=1S/C7H6ClN5O2/c8-6-5(13(14)15)7(12-4-11-6)10-3-1-2-9/h4H,1,3H2,(H,10,11,12)