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

Systemtic Name: [2-[ethyl(2-nitrooxyethyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate Openeye Name: [2-[ethyl(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-[ethyl(2-nitrooxyethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl(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-[ethyl(2-nitrooxyethyl)amino]-2-keto-ethyl] ester Formula: C18H21ClN4O9S MolecularWeight: 504.89874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O9S/c1-2-22(5-7-32-23(26)27)17(24)11-31-18(25)13-8-16(33(20,28)29)14(19)9-15(13)21-10-12-4-3-6-30-12/h3-4,6,8-9,21H,2,5,7,10-11H2,1H3,(H2,20,28,29)