ethyl 3-[[5-(4-chloranyl-2-nitro-phenyl)furan-2-yl]carbonyl-methylsulfonyl-amino]benzoate

Systemtic Name: ethyl 3-[[5-(4-chloranyl-2-nitro-phenyl)furan-2-yl]carbonyl-methylsulfonyl-amino]benzoate Openeye Name: ethyl 3-[[5-(4-chloro-2-nitro-phenyl)furan-2-carbonyl]-methylsulfonyl-amino]benzoate CAS Name: 3-[[[5-(4-chloro-2-nitrophenyl)-2-furanyl]-oxomethyl]-methylsulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-(4-chloro-2-nitrophenyl)furan-2-carbonyl]-methylsulfonylamino]benzoate Traditional Name: 3-[[5-(4-chloro-2-nitro-phenyl)-2-furoyl]-mesyl-amino]benzoic acid ethyl ester Formula: C21H17ClN2O8S MolecularWeight: 492.88628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C21H17ClN2O8S/c1-3-31-21(26)13-5-4-6-15(11-13)23(33(2,29)30)20(25)19-10-9-18(32-19)16-8-7-14(22)12-17(16)24(27)28/h4-12H,3H2,1-2H3