1-(4-methyl-1-phenyl-pent-1-yn-3-yl)pyrrolidine; 2,4,6-trinitrophenol

Systemtic Name: 1-(4-methyl-1-phenyl-pent-1-yn-3-yl)pyrrolidine; 2,4,6-trinitrophenol Openeye Name: 1-(1-isopropyl-3-phenyl-prop-2-ynyl)pyrrolidine; picric acid CAS Name: 1-(4-methyl-1-phenylpent-1-yn-3-yl)pyrrolidine; 2,4,6-trinitrophenol IUPAC Name: 1-(4-methyl-1-phenylpent-1-yn-3-yl)pyrrolidine; 2,4,6-trinitrophenol Traditional Name: 1-(1-isopropyl-3-phenyl-prop-2-ynyl)pyrrolidine; picric acid Formula: C22H24N4O7 MolecularWeight: 456.44856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#CC1=CC=CC=C1)N2CCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C#CC1=CC=CC=C1)N2CCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H21N.C6H3N3O7/c1-14(2)16(17-12-6-7-13-17)11-10-15-8-4-3-5-9-15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-5,8-9,14,16H,6-7,12-13H2,1-2H3;1-2,10H