N-[1,1-bis(oxidanylidene)thiolan-3-yl]-8-nitro-isoquinolin-5-amine

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-8-nitro-isoquinolin-5-amine Openeye Name: N-(1,1-dioxothiolan-3-yl)-8-nitro-isoquinolin-5-amine CAS Name: N-(1,1-dioxo-3-thiolanyl)-8-nitro-5-isoquinolinamine IUPAC Name: N-(1,1-dioxothiolan-3-yl)-8-nitroisoquinolin-5-amine Traditional Name: (1,1-diketothiolan-3-yl)-(8-nitro-5-isoquinolyl)amine Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)CC1NC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4S/c17-16(18)13-2-1-12(10-3-5-14-7-11(10)13)15-9-4-6-21(19,20)8-9/h1-3,5,7,9,15H,4,6,8H2