methyl 3-[[5-(2-acetyloxyethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]sulfanyl]propanoate

Systemtic Name: methyl 3-[[5-(2-acetyloxyethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[5-(2-acetoxyethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]sulfanyl]propanoate CAS Name: 3-[[5-(2-acetyloxyethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-(2-acetyloxyethylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]sulfanyl]propanoate Traditional Name: 3-[[6-(2-acetoxyethylamino)-7-nitro-benzofurazan-4-yl]thio]propionic acid methyl ester Formula: C14H16N4O7S MolecularWeight: 384.36444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCNC1=C(C2=NON=C2C(=C1)SCCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCNC1=C(C2=NON=C2C(=C1)SCCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O7S/c1-8(19)24-5-4-15-9-7-10(26-6-3-11(20)23-2)12-13(17-25-16-12)14(9)18(21)22/h7,15H,3-6H2,1-2H3