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

Systemtic Name: N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-piperidin-1-yl-propanamide; 2,4,6-trinitrophenol Openeye Name: N-(3,4-dimethylisoxazol-5-yl)-2-(1-piperidyl)propanamide; picric acid CAS Name: N-(3,4-dimethyl-5-isoxazolyl)-2-(1-piperidinyl)propanamide; 2,4,6-trinitrophenol IUPAC Name: N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-piperidin-1-ylpropanamide; 2,4,6-trinitrophenol Traditional Name: N-(3,4-dimethylisoxazol-5-yl)-2-piperidino-propionamide; picric acid Formula: C19H24N6O9 MolecularWeight: 480.42866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1C)NC(=O)C(C)N2CCCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(ON=C1C)NC(=O)C(C)N2CCCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H21N3O2.C6H3N3O7/c1-9-10(2)15-18-13(9)14-12(17)11(3)16-7-5-4-6-8-16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h11H,4-8H2,1-3H3,(H,14,17);1-2,10H