4-(3-cyano-6,7-dinitro-pyrrolo[3,2-b]quinoxalin-1-yl)benzenesulfonamide

Systemtic Name: 4-(3-cyano-6,7-dinitro-pyrrolo[3,2-b]quinoxalin-1-yl)benzenesulfonamide Openeye Name: 4-(3-cyano-6,7-dinitro-pyrrolo[3,2-b]quinoxalin-1-yl)benzenesulfonamide CAS Name: 4-(3-cyano-6,7-dinitro-1-pyrrolo[3,2-b]quinoxalinyl)benzenesulfonamide IUPAC Name: 4-(3-cyano-6,7-dinitropyrrolo[3,2-b]quinoxalin-1-yl)benzenesulfonamide Traditional Name: 4-(3-cyano-6,7-dinitro-pyrrolo[3,2-b]quinoxalin-1-yl)benzenesulfonamide Formula: C17H9N7O6S MolecularWeight: 439.36166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=C(C3=NC4=CC(=C(C=C4N=C32)[N+](=O)[O-])[N+](=O)[O-])C#N)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1N2C=C(C3=NC4=CC(=C(C=C4N=C32)[N+](=O)[O-])[N+](=O)[O-])C#N)S(=O)(=O)N

InChI

InChI=1S/C17H9N7O6S/c18-7-9-8-22(10-1-3-11(4-2-10)31(19,29)30)17-16(9)20-12-5-14(23(25)26)15(24(27)28)6-13(12)21-17/h1-6,8H,(H2,19,29,30)