[2-(2-nitrooxyethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate

Systemtic Name: [2-(2-nitrooxyethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate Openeye Name: [2-(2-nitrooxyethylamino)-2-oxo-ethyl] 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoate CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzoic acid [2-(2-nitrooxyethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitrooxyethylamino)-2-oxoethyl] 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate Traditional Name: 4-chloro-2-(2-furfurylamino)-5-sulfamoyl-benzoic acid [2-keto-2-(2-nitrooxyethylamino)ethyl] ester Formula: C16H17ClN4O9S MolecularWeight: 476.84558

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)OCC(=O)NCCO[N+](=O)[O-])S(=O)(=O)N)Cl

Isomeric SMILES

C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)OCC(=O)NCCO[N+](=O)[O-])S(=O)(=O)N)Cl

InChI

InChI=1S/C16H17ClN4O9S/c17-12-7-13(20-8-10-2-1-4-28-10)11(6-14(12)31(18,26)27)16(23)29-9-15(22)19-3-5-30-21(24)25/h1-2,4,6-7,20H,3,5,8-9H2,(H,19,22)(H2,18,26,27)