6-chloranyl-3-methylsulfonyl-7-nitro-N-propan-2-yl-8-(trifluoromethyl)quinoxalin-2-amine

Systemtic Name: 6-chloranyl-3-methylsulfonyl-7-nitro-N-propan-2-yl-8-(trifluoromethyl)quinoxalin-2-amine Openeye Name: 6-chloro-N-isopropyl-3-methylsulfonyl-7-nitro-8-(trifluoromethyl)quinoxalin-2-amine CAS Name: 6-chloro-3-methylsulfonyl-7-nitro-N-propan-2-yl-8-(trifluoromethyl)-2-quinoxalinamine IUPAC Name: 6-chloro-3-methylsulfonyl-7-nitro-N-propan-2-yl-8-(trifluoromethyl)quinoxalin-2-amine Traditional Name: [6-chloro-3-mesyl-7-nitro-8-(trifluoromethyl)quinoxalin-2-yl]-isopropyl-amine Formula: C13H12ClF3N4O4S MolecularWeight: 412.77199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClF3N4O4S/c1-5(2)18-11-12(26(3,24)25)19-7-4-6(14)10(21(22)23)8(9(7)20-11)13(15,16)17/h4-5H,1-3H3,(H,18,20)