5,7-dinitro-4-piperidin-1-yl-2,1,3-benzoxadiazole; ethanoic acid

Systemtic Name: 5,7-dinitro-4-piperidin-1-yl-2,1,3-benzoxadiazole; ethanoic acid Openeye Name: acetic acid; 5,7-dinitro-4-(1-piperidyl)-2,1,3-benzoxadiazole CAS Name: acetic acid; 5,7-dinitro-4-(1-piperidinyl)-2,1,3-benzoxadiazole IUPAC Name: acetic acid; 5,7-dinitro-4-piperidin-1-yl-2,1,3-benzoxadiazole Traditional Name: acetic acid; 5,7-dinitro-4-piperidino-benzofurazan Formula: C15H19N5O9 MolecularWeight: 413.33946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)O.C1CCN(CC1)C2=C(C=C(C3=NON=C23)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)O.CC(=O)O.C1CCN(CC1)C2=C(C=C(C3=NON=C23)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H11N5O5.2C2H4O2/c17-15(18)7-6-8(16(19)20)11(10-9(7)12-21-13-10)14-4-2-1-3-5-14;2*1-2(3)4/h6H,1-5H2;2*1H3,(H,3,4)