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

Systemtic Name: methyl 3-[[4-nitro-5-(2-propanoyloxyethylamino)-2,1,3-benzoxadiazol-7-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[4-nitro-5-(2-propanoyloxyethylamino)-2,1,3-benzoxadiazol-7-yl]sulfanyl]propanoate CAS Name: 3-[[4-nitro-5-[2-(1-oxopropoxy)ethylamino]-2,1,3-benzoxadiazol-7-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[4-nitro-5-(2-propanoyloxyethylamino)-2,1,3-benzoxadiazol-7-yl]sulfanyl]propanoate Traditional Name: 3-[[7-nitro-6-(2-propionyloxyethylamino)benzofurazan-4-yl]thio]propionic acid methyl ester Formula: C15H18N4O7S MolecularWeight: 398.39102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O7S/c1-3-11(20)25-6-5-16-9-8-10(27-7-4-12(21)24-2)13-14(18-26-17-13)15(9)19(22)23/h8,16H,3-7H2,1-2H3