O1-[2-[4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-phenyl]carbonyloxyethyl] O4-(2-nitrooxyethyl) butanedioate

Systemtic Name: O1-[2-[4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-phenyl]carbonyloxyethyl] O4-(2-nitrooxyethyl) butanedioate Openeye Name: O1-[2-[4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoyl]oxyethyl] O4-(2-nitrooxyethyl) butanedioate CAS Name: butanedioic acid O1-[2-[[4-chloro-2-(2-furanylmethylamino)-5-sulfamoylphenyl]-oxomethoxy]ethyl] ester O4-(2-nitrooxyethyl) ester IUPAC Name: 1-O-[2-[4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxyethyl] 4-O-(2-nitrooxyethyl) butanedioate Traditional Name: succinic acid O1-[2-[4-chloro-2-(2-furfurylamino)-5-sulfamoyl-benzoyl]oxyethyl] ester O4-(2-nitrooxyethyl) ester Formula: C20H22ClN3O12S MolecularWeight: 563.91958

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)OCCOC(=O)CCC(=O)OCCO[N+](=O)[O-])S(=O)(=O)N)Cl

Isomeric SMILES

C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)OCCOC(=O)CCC(=O)OCCO[N+](=O)[O-])S(=O)(=O)N)Cl

InChI

InChI=1S/C20H22ClN3O12S/c21-15-11-16(23-12-13-2-1-5-32-13)14(10-17(15)37(22,30)31)20(27)35-7-6-33-18(25)3-4-19(26)34-8-9-36-24(28)29/h1-2,5,10-11,23H,3-4,6-9,12H2,(H2,22,30,31)