methyl 3-nitro-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methoxy]benzoate

Systemtic Name: methyl 3-nitro-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methoxy]benzoate Openeye Name: methyl 3-nitro-4-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methoxy]benzoate CAS Name: 3-nitro-4-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methoxy]benzoate Traditional Name: 3-nitro-4-[(5-pyrrolidinosulfonyl-2-furyl)methoxy]benzoic acid methyl ester Formula: C17H18N2O8S MolecularWeight: 410.39842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC2=CC=C(O2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC2=CC=C(O2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

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