1-(8-nitroisoquinolin-5-yl)-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-(8-nitroisoquinolin-5-yl)-1,2,4-triazole-3-carbonitrile Openeye Name: 1-(8-nitro-5-isoquinolyl)-1,2,4-triazole-3-carbonitrile CAS Name: 1-(8-nitro-5-isoquinolinyl)-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-(8-nitroisoquinolin-5-yl)-1,2,4-triazole-3-carbonitrile Traditional Name: 1-(8-nitro-5-isoquinolyl)-1,2,4-triazole-3-carbonitrile Formula: C12H6N6O2 MolecularWeight: 266.21504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=NC=CC2=C1N3C=NC(=N3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C2C=NC=CC2=C1N3C=NC(=N3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C12H6N6O2/c13-5-12-15-7-17(16-12)10-1-2-11(18(19)20)9-6-14-4-3-8(9)10/h1-4,6-7H