(3,3-dimethyl-2-oxidanylidene-butyl) 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[[4-(2-furylmethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(2-furanylmethylamino)-3-nitrophenyl]sulfonylamino]acetic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(2-furfurylamino)-3-nitro-phenyl]sulfonylamino]acetic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H23N3O8S MolecularWeight: 453.46622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O8S/c1-19(2,3)17(23)12-30-18(24)11-21-31(27,28)14-6-7-15(16(9-14)22(25)26)20-10-13-5-4-8-29-13/h4-9,20-21H,10-12H2,1-3H3