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

Systemtic Name: 6,7-bis(chloranyl)-3-methylsulfonyl-8-nitro-N-propan-2-yl-quinoxalin-2-amine Openeye Name: 6,7-dichloro-N-isopropyl-3-methylsulfonyl-8-nitro-quinoxalin-2-amine CAS Name: 6,7-dichloro-3-methylsulfonyl-8-nitro-N-propan-2-yl-2-quinoxalinamine IUPAC Name: 6,7-dichloro-3-methylsulfonyl-8-nitro-N-propan-2-ylquinoxalin-2-amine Traditional Name: (6,7-dichloro-3-mesyl-8-nitro-quinoxalin-2-yl)-isopropyl-amine Formula: C12H12Cl2N4O4S MolecularWeight: 379.21908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12Cl2N4O4S/c1-5(2)15-11-12(23(3,21)22)16-7-4-6(13)8(14)10(18(19)20)9(7)17-11/h4-5H,1-3H3,(H,15,17)