2,5-dimethyl-9-nitro-[1,2,4]triazolo[5,1-a]isoquinoline-6-carbonitrile

Systemtic Name: 2,5-dimethyl-9-nitro-[1,2,4]triazolo[5,1-a]isoquinoline-6-carbonitrile Openeye Name: 2,5-dimethyl-9-nitro-[1,2,4]triazolo[5,1-a]isoquinoline-6-carbonitrile CAS Name: 2,5-dimethyl-9-nitro-[1,2,4]triazolo[5,1-a]isoquinoline-6-carbonitrile IUPAC Name: 2,5-dimethyl-9-nitro-[1,2,4]triazolo[5,1-a]isoquinoline-6-carbonitrile Traditional Name: 2,5-dimethyl-9-nitro-[1,2,4]triazol[5,1-a]isoquinoline-6-carbonitrile Formula: C13H9N5O2 MolecularWeight: 267.24286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C(C=C2)[N+](=O)[O-])C3=NC(=NN13)C)C#N

Isomeric SMILES

CC1=C(C2=C(C=C(C=C2)[N+](=O)[O-])C3=NC(=NN13)C)C#N

InChI

InChI=1S/C13H9N5O2/c1-7-12(6-14)10-4-3-9(18(19)20)5-11(10)13-15-8(2)16-17(7)13/h3-5H,1-2H3