1-cyanoethyl 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: 1-cyanoethyl 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: 1-cyanoethyl 2-[[4-(2-furylmethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(2-furanylmethylamino)-3-nitrophenyl]sulfonylamino]acetic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(2-furfurylamino)-3-nitro-phenyl]sulfonylamino]acetic acid 1-cyanoethyl ester Formula: C16H16N4O7S MolecularWeight: 408.38584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O7S/c1-11(8-17)27-16(21)10-19-28(24,25)13-4-5-14(15(7-13)20(22)23)18-9-12-3-2-6-26-12/h2-7,11,18-19H,9-10H2,1H3