(Z)-1,3-diphenyl-3-(2-pyridin-4-ylethylamino)prop-2-en-1-one; 2,4,6-trinitrophenol

Systemtic Name: (Z)-1,3-diphenyl-3-(2-pyridin-4-ylethylamino)prop-2-en-1-one; 2,4,6-trinitrophenol Openeye Name: (Z)-1,3-diphenyl-3-[2-(4-pyridyl)ethylamino]prop-2-en-1-one; picric acid CAS Name: (Z)-1,3-diphenyl-3-(2-pyridin-4-ylethylamino)-2-propen-1-one; 2,4,6-trinitrophenol IUPAC Name: (Z)-1,3-diphenyl-3-(2-pyridin-4-ylethylamino)prop-2-en-1-one; 2,4,6-trinitrophenol Traditional Name: (Z)-1,3-diphenyl-3-[2-(4-pyridyl)ethylamino]prop-2-en-1-one; picric acid Formula: C28H23N5O8 MolecularWeight: 557.51092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)NCCC3=CC=NC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C(=C/C(=O)C2=CC=CC=C2)/NCCC3=CC=NC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O.C6H3N3O7/c25-22(20-9-5-2-6-10-20)17-21(19-7-3-1-4-8-19)24-16-13-18-11-14-23-15-12-18;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-12,14-15,17,24H,13,16H2;1-2,10H/b21-17-;