1-phenyl-5-piperidin-1-yl-pentan-1-one; 2,4,6-trinitrophenol

Systemtic Name: 1-phenyl-5-piperidin-1-yl-pentan-1-one; 2,4,6-trinitrophenol Openeye Name: 1-phenyl-5-(1-piperidyl)pentan-1-one; picric acid CAS Name: 1-phenyl-5-(1-piperidinyl)-1-pentanone; 2,4,6-trinitrophenol IUPAC Name: 1-phenyl-5-piperidin-1-ylpentan-1-one; 2,4,6-trinitrophenol Traditional Name: 1-phenyl-5-piperidino-pentan-1-one; picric acid Formula: C22H26N4O8 MolecularWeight: 474.46384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCC(=O)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CCCCC(=O)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H23NO.C6H3N3O7/c18-16(15-9-3-1-4-10-15)11-5-8-14-17-12-6-2-7-13-17;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1,3-4,9-10H,2,5-8,11-14H2;1-2,10H