3-[2-cyanoethyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]amino]propionitrile Formula: C15H15N7O2 MolecularWeight: 325.3253

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C=N2)CN(CCC#N)CCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C=N2)CN(CCC#N)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C15H15N7O2/c16-7-1-9-20(10-2-8-17)12-21-11-18-15(19-21)13-3-5-14(6-4-13)22(23)24/h3-6,11H,1-2,9-10,12H2