methyl 2-[2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoyloxy]propanoate

Systemtic Name: methyl 2-[2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoyloxy]propanoate Openeye Name: methyl 2-[2-[[4-(2-furylmethylamino)-3-nitro-phenyl]sulfonylamino]acetyl]oxypropanoate CAS Name: 2-[2-[[4-(2-furanylmethylamino)-3-nitrophenyl]sulfonylamino]-1-oxoethoxy]propanoic acid methyl ester IUPAC Name: methyl 2-[2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetyl]oxypropanoate Traditional Name: 2-[2-[[4-(2-furfurylamino)-3-nitro-phenyl]sulfonylamino]acetyl]oxypropionic acid methyl ester Formula: C17H19N3O9S MolecularWeight: 441.41246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)OC(=O)CNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=CO2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OC)OC(=O)CNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=CO2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O9S/c1-11(17(22)27-2)29-16(21)10-19-30(25,26)13-5-6-14(15(8-13)20(23)24)18-9-12-4-3-7-28-12/h3-8,11,18-19H,9-10H2,1-2H3