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4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-3-nitro-benzenecarbonitrile
4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-3-nitro-benzenecarbonitrile
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Descriptors Computed from Structure
Canonical SMILES:
C1CC2=NN=C(N2C1)CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]
Isomeric SMILES
C1CC2=NN=C(N2C1)CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]
InChI
InChI=1S/C13H12N6O2/c14-7-9-3-4-10(11(6-9)19(20)21)15-8-13-17-16-12-2-1-5-18(12)13/h3-4,6,15H,1-2,5,8H2
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