methyl 1-tert-butyl-2-phenyl-azetidine-3-carboxylate; 2,4,6-trinitrophenol

Systemtic Name: methyl 1-tert-butyl-2-phenyl-azetidine-3-carboxylate; 2,4,6-trinitrophenol Openeye Name: methyl 1-tert-butyl-2-phenyl-azetidine-3-carboxylate; picric acid CAS Name: 1-tert-butyl-2-phenyl-3-azetidinecarboxylic acid methyl ester; 2,4,6-trinitrophenol IUPAC Name: methyl 1-tert-butyl-2-phenylazetidine-3-carboxylate; 2,4,6-trinitrophenol Traditional Name: 1-tert-butyl-2-phenyl-azetidine-3-carboxylic acid methyl ester; picric acid Formula: C21H24N4O9 MolecularWeight: 476.43666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CC(C1C2=CC=CC=C2)C(=O)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)N1CC(C1C2=CC=CC=C2)C(=O)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H21NO2.C6H3N3O7/c1-15(2,3)16-10-12(14(17)18-4)13(16)11-8-6-5-7-9-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-9,12-13H,10H2,1-4H3;1-2,10H