2-(diethylamino)-N-(8-ethoxyquinolin-5-yl)ethanamide; 2,4,6-trinitrophenol

Systemtic Name: 2-(diethylamino)-N-(8-ethoxyquinolin-5-yl)ethanamide; 2,4,6-trinitrophenol Openeye Name: 2-(diethylamino)-N-(8-ethoxy-5-quinolyl)acetamide; picric acid CAS Name: 2-(diethylamino)-N-(8-ethoxy-5-quinolinyl)acetamide; 2,4,6-trinitrophenol IUPAC Name: 2-(diethylamino)-N-(8-ethoxyquinolin-5-yl)acetamide; 2,4,6-trinitrophenol Traditional Name: 2-(diethylamino)-N-(8-ethoxy-5-quinolyl)acetamide; picric acid Formula: C29H29N9O16 MolecularWeight: 759.59126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(=O)NC1=C2C=CC=NC2=C(C=C1)OCC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC(=O)NC1=C2C=CC=NC2=C(C=C1)OCC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O2.2C6H3N3O7/c1-4-20(5-2)12-16(21)19-14-9-10-15(22-6-3)17-13(14)8-7-11-18-17;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h7-11H,4-6,12H2,1-3H3,(H,19,21);2*1-2,10H