4-[(2S)-2-methylpiperidin-1-yl]-5,7-dinitro-2,1,3-benzoxadiazole

Systemtic Name: 4-[(2S)-2-methylpiperidin-1-yl]-5,7-dinitro-2,1,3-benzoxadiazole Openeye Name: 4-[(2S)-2-methyl-1-piperidyl]-5,7-dinitro-2,1,3-benzoxadiazole CAS Name: 4-[(2S)-2-methyl-1-piperidinyl]-5,7-dinitro-2,1,3-benzoxadiazole IUPAC Name: 4-[(2S)-2-methylpiperidin-1-yl]-5,7-dinitro-2,1,3-benzoxadiazole Traditional Name: 4-[(2S)-2-methylpiperidino]-5,7-dinitro-benzofurazan Formula: C12H13N5O5 MolecularWeight: 307.26212

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C=C(C3=NON=C23)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCCN1C2=C(C=C(C3=NON=C23)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O5/c1-7-4-2-3-5-15(7)12-9(17(20)21)6-8(16(18)19)10-11(12)14-22-13-10/h6-7H,2-5H2,1H3/t7-/m0/s1