N-(furan-2-ylmethyl)-N-methyl-3-phenyl-prop-2-yn-1-amine; 2,4,6-trinitrophenol

Systemtic Name: N-(furan-2-ylmethyl)-N-methyl-3-phenyl-prop-2-yn-1-amine; 2,4,6-trinitrophenol Openeye Name: N-(2-furylmethyl)-N-methyl-3-phenyl-prop-2-yn-1-amine; picric acid CAS Name: N-(2-furanylmethyl)-N-methyl-3-phenyl-2-propyn-1-amine; 2,4,6-trinitrophenol IUPAC Name: N-(furan-2-ylmethyl)-N-methyl-3-phenylprop-2-yn-1-amine; 2,4,6-trinitrophenol Traditional Name: 2-furfuryl-methyl-(3-phenylprop-2-ynyl)amine; picric acid Formula: C21H18N4O8 MolecularWeight: 454.38962

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#CC1=CC=CC=C1)CC2=CC=CO2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(CC#CC1=CC=CC=C1)CC2=CC=CO2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H15NO.C6H3N3O7/c1-16(13-15-10-6-12-17-15)11-5-9-14-7-3-2-4-8-14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-4,6-8,10,12H,11,13H2,1H3;1-2,10H