N-tert-butyl-3-methylsulfonyl-6,7-dinitro-quinoxalin-2-amine

Systemtic Name: N-tert-butyl-3-methylsulfonyl-6,7-dinitro-quinoxalin-2-amine Openeye Name: N-tert-butyl-3-methylsulfonyl-6,7-dinitro-quinoxalin-2-amine CAS Name: N-tert-butyl-3-methylsulfonyl-6,7-dinitro-2-quinoxalinamine IUPAC Name: N-tert-butyl-3-methylsulfonyl-6,7-dinitroquinoxalin-2-amine Traditional Name: tert-butyl-(3-mesyl-6,7-dinitro-quinoxalin-2-yl)amine Formula: C13H15N5O6S MolecularWeight: 369.3531

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC2=CC(=C(C=C2N=C1S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC1=NC2=CC(=C(C=C2N=C1S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O6S/c1-13(2,3)16-11-12(25(4,23)24)15-8-6-10(18(21)22)9(17(19)20)5-7(8)14-11/h5-6H,1-4H3,(H,14,16)