N,N-diphenethylpyridin-4-amine; 2,4,6-trinitrophenol

Systemtic Name: N,N-diphenethylpyridin-4-amine; 2,4,6-trinitrophenol Openeye Name: N,N-diphenethylpyridin-4-amine; picric acid CAS Name: N,N-diphenethyl-4-pyridinamine; 2,4,6-trinitrophenol IUPAC Name: N,N-diphenethylpyridin-4-amine; 2,4,6-trinitrophenol Traditional Name: diphenethyl(4-pyridyl)amine; picric acid Formula: C27H25N5O7 MolecularWeight: 531.5167

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CCC2=CC=CC=C2)C3=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)CCN(CCC2=CC=CC=C2)C3=CC=NC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H22N2.C6H3N3O7/c1-3-7-19(8-4-1)13-17-23(21-11-15-22-16-12-21)18-14-20-9-5-2-6-10-20;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-12,15-16H,13-14,17-18H2;1-2,10H