8-nitro-N-[2-(1,2,4-triazol-1-yl)ethyl]isoquinolin-5-amine

Systemtic Name: 8-nitro-N-[2-(1,2,4-triazol-1-yl)ethyl]isoquinolin-5-amine Openeye Name: 8-nitro-N-[2-(1,2,4-triazol-1-yl)ethyl]isoquinolin-5-amine CAS Name: 8-nitro-N-[2-(1,2,4-triazol-1-yl)ethyl]-5-isoquinolinamine IUPAC Name: 8-nitro-N-[2-(1,2,4-triazol-1-yl)ethyl]isoquinolin-5-amine Traditional Name: (8-nitro-5-isoquinolyl)-[2-(1,2,4-triazol-1-yl)ethyl]amine Formula: C13H12N6O2 MolecularWeight: 284.27338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=NC=CC2=C1NCCN3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C2C=NC=CC2=C1NCCN3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H12N6O2/c20-19(21)13-2-1-12(10-3-4-14-7-11(10)13)16-5-6-18-9-15-8-17-18/h1-4,7-9,16H,5-6H2