4,5-dimethyl-3-propan-2-yl-1H-pyrazole; 2,4,6-trinitrophenol

Systemtic Name: 4,5-dimethyl-3-propan-2-yl-1H-pyrazole; 2,4,6-trinitrophenol Openeye Name: 3-isopropyl-4,5-dimethyl-1H-pyrazole; picric acid CAS Name: 4,5-dimethyl-3-propan-2-yl-1H-pyrazole; 2,4,6-trinitrophenol IUPAC Name: 4,5-dimethyl-3-propan-2-yl-1H-pyrazole; 2,4,6-trinitrophenol Traditional Name: 3-isopropyl-4,5-dimethyl-1H-pyrazole; picric acid Formula: C14H17N5O7 MolecularWeight: 367.31408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN=C1C(C)C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(NN=C1C(C)C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H14N2.C6H3N3O7/c1-5(2)8-6(3)7(4)9-10-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5H,1-4H3,(H,9,10);1-2,10H