[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 2-[[4-(2-furylmethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(2-furanylmethylamino)-3-nitrophenyl]sulfonylamino]acetic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(2-furfurylamino)-3-nitro-phenyl]sulfonylamino]acetic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C18H20N4O8S MolecularWeight: 452.4384

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O8S/c23-17(21-12-3-4-12)11-30-18(24)10-20-31(27,28)14-5-6-15(16(8-14)22(25)26)19-9-13-2-1-7-29-13/h1-2,5-8,12,19-20H,3-4,9-11H2,(H,21,23)