2-[(4-nitro-7-propylsulfanyl-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate

Systemtic Name: 2-[(4-nitro-7-propylsulfanyl-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate Openeye Name: 2-[(4-nitro-7-propylsulfanyl-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate CAS Name: butanoic acid 2-[[4-nitro-7-(propylthio)-2,1,3-benzoxadiazol-5-yl]amino]ethyl ester IUPAC Name: 2-[(4-nitro-7-propylsulfanyl-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate Traditional Name: butyric acid 2-[[4-nitro-7-(propylthio)benzofurazan-5-yl]amino]ethyl ester Formula: C15H20N4O5S MolecularWeight: 368.4081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O5S/c1-3-5-12(20)23-7-6-16-10-9-11(25-8-4-2)13-14(18-24-17-13)15(10)19(21)22/h9,16H,3-8H2,1-2H3