2-[[2-(2-hydroxyethylcarbamoyl)-4,6-dinitro-phenyl]amino]ethyl methanesulfonate

Systemtic Name: 2-[[2-(2-hydroxyethylcarbamoyl)-4,6-dinitro-phenyl]amino]ethyl methanesulfonate Openeye Name: 2-[2-(2-hydroxyethylcarbamoyl)-4,6-dinitro-anilino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[2-[(2-hydroxyethylamino)-oxomethyl]-4,6-dinitroanilino]ethyl ester IUPAC Name: 2-[2-(2-hydroxyethylcarbamoyl)-4,6-dinitroanilino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[2-(2-hydroxyethylcarbamoyl)-4,6-dinitro-anilino]ethyl ester Formula: C12H16N4O9S MolecularWeight: 392.34184

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCNC1=C(C=C(C=C1C(=O)NCCO)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OCCNC1=C(C=C(C=C1C(=O)NCCO)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O9S/c1-26(23,24)25-5-3-13-11-9(12(18)14-2-4-17)6-8(15(19)20)7-10(11)16(21)22/h6-7,13,17H,2-5H2,1H3,(H,14,18)