N-(2-piperidin-1-ylethyl)-N-thiophen-2-yl-ethanamide; 2,4,6-trinitrophenol

Systemtic Name: N-(2-piperidin-1-ylethyl)-N-thiophen-2-yl-ethanamide; 2,4,6-trinitrophenol Openeye Name: picric acid; N-[2-(1-piperidyl)ethyl]-N-(2-thienyl)acetamide CAS Name: N-[2-(1-piperidinyl)ethyl]-N-thiophen-2-ylacetamide; 2,4,6-trinitrophenol IUPAC Name: N-(2-piperidin-1-ylethyl)-N-thiophen-2-ylacetamide; 2,4,6-trinitrophenol Traditional Name: picric acid; N-(2-piperidinoethyl)-N-(2-thienyl)acetamide Formula: C19H23N5O8S MolecularWeight: 481.47962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCN1CCCCC1)C2=CC=CS2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)N(CCN1CCCCC1)C2=CC=CS2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H20N2OS.C6H3N3O7/c1-12(16)15(13-6-5-11-17-13)10-9-14-7-3-2-4-8-14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-6,11H,2-4,7-10H2,1H3;1-2,10H