(3-methyl-1,2-oxazol-5-yl)methyl 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: (3-methylisoxazol-5-yl)methyl 2-[[4-(2-furylmethylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(2-furanylmethylamino)-3-nitrophenyl]sulfonylamino]acetic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(2-furfurylamino)-3-nitro-phenyl]sulfonylamino]acetic acid (3-methylisoxazol-5-yl)methyl ester Formula: C18H18N4O8S MolecularWeight: 450.42252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CC1=NOC(=C1)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O8S/c1-12-7-14(30-21-12)11-29-18(23)10-20-31(26,27)15-4-5-16(17(8-15)22(24)25)19-9-13-3-2-6-28-13/h2-8,19-20H,9-11H2,1H3