4-methoxy-2-pentyl-quinoline; 2,4,6-trinitrophenol

Systemtic Name: 4-methoxy-2-pentyl-quinoline; 2,4,6-trinitrophenol Openeye Name: 4-methoxy-2-pentyl-quinoline; picric acid CAS Name: 4-methoxy-2-pentylquinoline; 2,4,6-trinitrophenol IUPAC Name: 4-methoxy-2-pentylquinoline; 2,4,6-trinitrophenol Traditional Name: 2-amyl-4-methoxy-quinoline; picric acid Formula: C21H22N4O8 MolecularWeight: 458.42138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC2=CC=CC=C2C(=C1)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=NC2=CC=CC=C2C(=C1)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H19NO.C6H3N3O7/c1-3-4-5-8-12-11-15(17-2)13-9-6-7-10-14(13)16-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-7,9-11H,3-5,8H2,1-2H3;1-2,10H