4-(8-nitroisoquinolin-5-yl)piperazin-2-one

Systemtic Name: 4-(8-nitroisoquinolin-5-yl)piperazin-2-one Openeye Name: 4-(8-nitro-5-isoquinolyl)piperazin-2-one CAS Name: 4-(8-nitro-5-isoquinolinyl)-2-piperazinone IUPAC Name: 4-(8-nitroisoquinolin-5-yl)piperazin-2-one Traditional Name: 4-(8-nitro-5-isoquinolyl)piperazin-2-one Formula: C13H12N4O3 MolecularWeight: 272.25938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC(=O)N1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O3/c18-13-8-16(6-5-15-13)11-1-2-12(17(19)20)10-7-14-4-3-9(10)11/h1-4,7H,5-6,8H2,(H,15,18)