2-[(4-nitro-7-propan-2-ylsulfanyl-2,1,3-benzoxadiazol-5-yl)amino]ethyl ethanoate

Systemtic Name: 2-[(4-nitro-7-propan-2-ylsulfanyl-2,1,3-benzoxadiazol-5-yl)amino]ethyl ethanoate Openeye Name: 2-[(7-isopropylsulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl acetate CAS Name: acetic acid 2-[[4-nitro-7-(propan-2-ylthio)-2,1,3-benzoxadiazol-5-yl]amino]ethyl ester IUPAC Name: 2-[(4-nitro-7-propan-2-ylsulfanyl-2,1,3-benzoxadiazol-5-yl)amino]ethyl acetate Traditional Name: acetic acid 2-[[7-(isopropylthio)-4-nitro-benzofurazan-5-yl]amino]ethyl ester Formula: C13H16N4O5S MolecularWeight: 340.35494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCCOC(=O)C

Isomeric SMILES

CC(C)SC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCCOC(=O)C

InChI

InChI=1S/C13H16N4O5S/c1-7(2)23-10-6-9(14-4-5-21-8(3)18)13(17(19)20)12-11(10)15-22-16-12/h6-7,14H,4-5H2,1-3H3