N,N-dimethyl-3-phenyl-prop-2-yn-1-amine; 2,4,6-trinitrophenol

Systemtic Name: N,N-dimethyl-3-phenyl-prop-2-yn-1-amine; 2,4,6-trinitrophenol Openeye Name: N,N-dimethyl-3-phenyl-prop-2-yn-1-amine; picric acid CAS Name: N,N-dimethyl-3-phenyl-2-propyn-1-amine; 2,4,6-trinitrophenol IUPAC Name: N,N-dimethyl-3-phenylprop-2-yn-1-amine; 2,4,6-trinitrophenol Traditional Name: dimethyl(3-phenylprop-2-ynyl)amine; picric acid Formula: C17H16N4O7 MolecularWeight: 388.33154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N.C6H3N3O7/c1-12(2)10-6-9-11-7-4-3-5-8-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-5,7-8H,10H2,1-2H3;1-2,10H