1-(5-nitroisoquinolin-1-yl)-N-(1,2,4-triazol-4-yl)methanimine

Systemtic Name: 1-(5-nitroisoquinolin-1-yl)-N-(1,2,4-triazol-4-yl)methanimine Openeye Name: 1-(5-nitro-1-isoquinolyl)-N-(1,2,4-triazol-4-yl)methanimine CAS Name: 1-(5-nitro-1-isoquinolinyl)-N-(1,2,4-triazol-4-yl)methanimine IUPAC Name: 1-(5-nitroisoquinolin-1-yl)-N-(1,2,4-triazol-4-yl)methanimine Traditional Name: (E)-(5-nitro-1-isoquinolyl)methylene-(1,2,4-triazol-4-yl)amine Formula: C12H8N6O2 MolecularWeight: 268.23092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2C=NN3C=NN=C3)C(=C1)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CN=C2/C=N/N3C=NN=C3)C(=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H8N6O2/c19-18(20)12-3-1-2-9-10(12)4-5-13-11(9)6-16-17-7-14-15-8-17/h1-8H/b16-6+