[2-[methyl(2-nitrooxyethyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate

Systemtic Name: [2-[methyl(2-nitrooxyethyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate Openeye Name: [2-[methyl(2-nitrooxyethyl)amino]-2-oxo-ethyl] 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoate CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzoic acid [2-[methyl(2-nitrooxyethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(2-nitrooxyethyl)amino]-2-oxoethyl] 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate Traditional Name: 4-chloro-2-(2-furfurylamino)-5-sulfamoyl-benzoic acid [2-keto-2-[methyl(2-nitrooxyethyl)amino]ethyl] ester Formula: C17H19ClN4O9S MolecularWeight: 490.87216

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCO[N+](=O)[O-])C(=O)COC(=O)C1=CC(=C(C=C1NCC2=CC=CO2)Cl)S(=O)(=O)N

Isomeric SMILES

CN(CCO[N+](=O)[O-])C(=O)COC(=O)C1=CC(=C(C=C1NCC2=CC=CO2)Cl)S(=O)(=O)N

InChI

InChI=1S/C17H19ClN4O9S/c1-21(4-6-31-22(25)26)16(23)10-30-17(24)12-7-15(32(19,27)28)13(18)8-14(12)20-9-11-3-2-5-29-11/h2-3,5,7-8,20H,4,6,9-10H2,1H3,(H2,19,27,28)