N-(1-methylpyrazol-4-yl)-8-nitro-isoquinolin-5-amine

Systemtic Name: N-(1-methylpyrazol-4-yl)-8-nitro-isoquinolin-5-amine Openeye Name: N-(1-methylpyrazol-4-yl)-8-nitro-isoquinolin-5-amine CAS Name: N-(1-methyl-4-pyrazolyl)-8-nitro-5-isoquinolinamine IUPAC Name: N-(1-methylpyrazol-4-yl)-8-nitroisoquinolin-5-amine Traditional Name: (1-methylpyrazol-4-yl)-(8-nitro-5-isoquinolyl)amine Formula: C13H11N5O2 MolecularWeight: 269.25874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)NC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)NC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O2/c1-17-8-9(6-15-17)16-12-2-3-13(18(19)20)11-7-14-5-4-10(11)12/h2-8,16H,1H3