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

Systemtic Name: 3-(2-azanyl-3-cyano-6,7-dinitro-pyrrolo[3,2-b]quinoxalin-1-yl)benzenesulfonamide Openeye Name: 3-(2-amino-3-cyano-6,7-dinitro-pyrrolo[3,2-b]quinoxalin-1-yl)benzenesulfonamide CAS Name: 3-(2-amino-3-cyano-6,7-dinitro-1-pyrrolo[3,2-b]quinoxalinyl)benzenesulfonamide IUPAC Name: 3-(2-amino-3-cyano-6,7-dinitropyrrolo[3,2-b]quinoxalin-1-yl)benzenesulfonamide Traditional Name: 3-(2-amino-3-cyano-6,7-dinitro-pyrrolo[3,2-b]quinoxalin-1-yl)benzenesulfonamide Formula: C17H10N8O6S MolecularWeight: 454.3763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N)N2C(=C(C3=NC4=CC(=C(C=C4N=C32)[N+](=O)[O-])[N+](=O)[O-])C#N)N

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)N2C(=C(C3=NC4=CC(=C(C=C4N=C32)[N+](=O)[O-])[N+](=O)[O-])C#N)N

InChI

InChI=1S/C17H10N8O6S/c18-7-10-15-17(23(16(10)19)8-2-1-3-9(4-8)32(20,30)31)22-12-6-14(25(28)29)13(24(26)27)5-11(12)21-15/h1-6H,19H2,(H2,20,30,31)