2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-5-nitro-benzenecarbonitrile Openeye Name: 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-5-nitro-benzonitrile CAS Name: 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-5-nitrobenzonitrile IUPAC Name: 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-5-nitrobenzonitrile Traditional Name: 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-5-nitro-benzonitrile Formula: C13H12N6O2 MolecularWeight: 284.27338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NN=C(N2C1)CNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CC2=NN=C(N2C1)CNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H12N6O2/c14-7-9-6-10(19(20)21)3-4-11(9)15-8-13-17-16-12-2-1-5-18(12)13/h3-4,6,15H,1-2,5,8H2