2-[[7-(1-methylimidazol-2-yl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl propanoate

Systemtic Name: 2-[[7-(1-methylimidazol-2-yl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl propanoate Openeye Name: 2-[[7-(1-methylimidazol-2-yl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl propanoate CAS Name: propanoic acid 2-[[7-[(1-methyl-2-imidazolyl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl ester IUPAC Name: 2-[[7-(1-methylimidazol-2-yl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl propanoate Traditional Name: propionic acid 2-[[7-[(1-methylimidazol-2-yl)thio]-4-nitro-benzofurazan-5-yl]amino]ethyl ester Formula: C15H16N6O5S MolecularWeight: 392.38974

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCNC1=C(C2=NON=C2C(=C1)SC3=NC=CN3C)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)OCCNC1=C(C2=NON=C2C(=C1)SC3=NC=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C15H16N6O5S/c1-3-11(22)25-7-5-16-9-8-10(27-15-17-4-6-20(15)2)12-13(19-26-18-12)14(9)21(23)24/h4,6,8,16H,3,5,7H2,1-2H3