3-[[7-(furan-2-ylmethylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propyl ethanoate

Systemtic Name: 3-[[7-(furan-2-ylmethylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propyl ethanoate Openeye Name: 3-[[7-(2-furylmethylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propyl acetate CAS Name: acetic acid 3-[[7-(2-furanylmethylthio)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propyl ester IUPAC Name: 3-[[7-(furan-2-ylmethylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propyl acetate Traditional Name: acetic acid 3-[[7-(2-furfurylthio)-4-nitro-benzofurazan-5-yl]amino]propyl ester Formula: C16H16N4O6S MolecularWeight: 392.38644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCNC1=C(C2=NON=C2C(=C1)SCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCCNC1=C(C2=NON=C2C(=C1)SCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O6S/c1-10(21)24-7-3-5-17-12-8-13(27-9-11-4-2-6-25-11)14-15(19-26-18-14)16(12)20(22)23/h2,4,6,8,17H,3,5,7,9H2,1H3