methyl 5-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]furan-2-carboxylate Openeye Name: methyl 5-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]furan-2-carboxylate CAS Name: 5-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]furan-2-carboxylate Traditional Name: 5-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]furan-2-carboxylic acid methyl ester Formula: C17H18N2O8S MolecularWeight: 410.39842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(O1)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O8S/c1-25-17(20)16-6-4-12(27-16)11-26-15-7-5-13(10-14(15)19(21)22)28(23,24)18-8-2-3-9-18/h4-7,10H,2-3,8-9,11H2,1H3