3,5-dimethyl-2-(N-methyl-C-phenyl-carbonimidoyl)-4H-pyrazol-3-ol; 2,4,6-trinitrophenol

Systemtic Name: 3,5-dimethyl-2-(N-methyl-C-phenyl-carbonimidoyl)-4H-pyrazol-3-ol; 2,4,6-trinitrophenol Openeye Name: 3,5-dimethyl-2-(N-methyl-C-phenyl-carbonimidoyl)-4H-pyrazol-3-ol; picric acid CAS Name: 3,5-dimethyl-2-[methylimino(phenyl)methyl]-4H-pyrazol-3-ol; 2,4,6-trinitrophenol IUPAC Name: 3,5-dimethyl-2-(N-methyl-C-phenylcarbonimidoyl)-4H-pyrazol-3-ol; 2,4,6-trinitrophenol Traditional Name: 3,5-dimethyl-2-(N-methyl-C-phenyl-carbonimidoyl)-2-pyrazolin-3-ol; picric acid Formula: C19H20N6O8 MolecularWeight: 460.3975

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C)O)C(=NC)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(C1)(C)O)C(=NC)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O.C6H3N3O7/c1-10-9-13(2,17)16(15-10)12(14-3)11-7-5-4-6-8-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-8,17H,9H2,1-3H3;1-2,10H