2-[2-bromoethyl-[2-(2-hydroxyethylcarbamoyl)-6-nitro-4-(oxidanylamino)phenyl]amino]ethyl methanesulfonate

Systemtic Name: 2-[2-bromoethyl-[2-(2-hydroxyethylcarbamoyl)-6-nitro-4-(oxidanylamino)phenyl]amino]ethyl methanesulfonate Openeye Name: 2-[N-(2-bromoethyl)-4-(hydroxyamino)-2-(2-hydroxyethylcarbamoyl)-6-nitro-anilino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[N-(2-bromoethyl)-4-(hydroxyamino)-2-[(2-hydroxyethylamino)-oxomethyl]-6-nitroanilino]ethyl ester IUPAC Name: 2-[N-(2-bromoethyl)-4-(hydroxyamino)-2-(2-hydroxyethylcarbamoyl)-6-nitroanilino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[N-(2-bromoethyl)-4-(hydroxyamino)-2-(2-hydroxyethylcarbamoyl)-6-nitro-anilino]ethyl ester Formula: C14H21BrN4O8S MolecularWeight: 485.30754

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCN(CCBr)C1=C(C=C(C=C1C(=O)NCCO)NO)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OCCN(CCBr)C1=C(C=C(C=C1C(=O)NCCO)NO)[N+](=O)[O-]

InChI

InChI=1S/C14H21BrN4O8S/c1-28(25,26)27-7-5-18(4-2-15)13-11(14(21)16-3-6-20)8-10(17-22)9-12(13)19(23)24/h8-9,17,20,22H,2-7H2,1H3,(H,16,21)