N-cyclohexyl-5-quinolin-6-yl-1,3,4-oxadiazol-2-amine; 2,4,6-trinitrophenolate

Systemtic Name: N-cyclohexyl-5-quinolin-6-yl-1,3,4-oxadiazol-2-amine; 2,4,6-trinitrophenolate Openeye Name: N-cyclohexyl-5-(6-quinolyl)-1,3,4-oxadiazol-2-amine; 2,4,6-trinitrophenolate CAS Name: N-cyclohexyl-5-(6-quinolinyl)-1,3,4-oxadiazol-2-amine; 2,4,6-trinitrophenolate IUPAC Name: N-cyclohexyl-5-quinolin-6-yl-1,3,4-oxadiazol-2-amine; 2,4,6-trinitrophenolate Traditional Name: cyclohexyl-[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]amine picrate Formula: C23H20N7O8- MolecularWeight: 522.447

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NN=C(O2)C3=CC4=C(C=C3)N=CC=C4.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2=NN=C(O2)C3=CC4=C(C=C3)N=CC=C4.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O.C6H3N3O7/c1-2-6-14(7-3-1)19-17-21-20-16(22-17)13-8-9-15-12(11-13)5-4-10-18-15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-5,8-11,14H,1-3,6-7H2,(H,19,21);1-2,10H/p-1