3-phenyl-N,N-bis(phenylmethyl)prop-2-yn-1-amine; 2,4,6-trinitrophenol

Systemtic Name: 3-phenyl-N,N-bis(phenylmethyl)prop-2-yn-1-amine; 2,4,6-trinitrophenol Openeye Name: N,N-dibenzyl-3-phenyl-prop-2-yn-1-amine; picric acid CAS Name: 3-phenyl-N,N-bis(phenylmethyl)-2-propyn-1-amine; 2,4,6-trinitrophenol IUPAC Name: N,N-dibenzyl-3-phenylprop-2-yn-1-amine; 2,4,6-trinitrophenol Traditional Name: dibenzyl(3-phenylprop-2-ynyl)amine; picric acid Formula: C29H24N4O7 MolecularWeight: 540.52346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC#CC2=CC=CC=C2)CC3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CC#CC2=CC=CC=C2)CC3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H21N.C6H3N3O7/c1-4-11-21(12-5-1)17-10-18-24(19-22-13-6-2-7-14-22)20-23-15-8-3-9-16-23;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-9,11-16H,18-20H2;1-2,10H