2-(diethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)ethanamide; 2,4,6-trinitrophenol

Systemtic Name: 2-(diethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)ethanamide; 2,4,6-trinitrophenol Openeye Name: 2-(diethylamino)-N-(3,4-dimethylisoxazol-5-yl)acetamide; picric acid CAS Name: 2-(diethylamino)-N-(3,4-dimethyl-5-isoxazolyl)acetamide; 2,4,6-trinitrophenol IUPAC Name: 2-(diethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide; 2,4,6-trinitrophenol Traditional Name: 2-(diethylamino)-N-(3,4-dimethylisoxazol-5-yl)acetamide; picric acid Formula: C17H22N6O9 MolecularWeight: 454.39138

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(=O)NC1=C(C(=NO1)C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC(=O)NC1=C(C(=NO1)C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H19N3O2.C6H3N3O7/c1-5-14(6-2)7-10(15)12-11-8(3)9(4)13-16-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-7H2,1-4H3,(H,12,15);1-2,10H